# SEARCH

** A-S coupling configuration interaction calculations **

** Ab initio calculations Configuration interaction Coupled-cluster **

** Ab initio configuration interaction methods **

** Ab initio configuration interaction methods examples **

** Ab initio methods configurational interaction **

** Anharmonicity vibrational configuration interaction **

** Approximations , Adiabatic configuration interaction method **

** Arbitrary configuration interaction **

** AuH, relativistic configuration interaction **

** Basis configuration interaction **

** Bond breaking configuration interaction **

** Bond dissociation configuration interaction **

** Brillouin-Wigner configuration interaction expansions **

** Brillouin-Wigner configuration interaction theory **

** Brillouin-Wigner configuration interaction theory, multi-reference **

** Brillouin-Wigner full configuration interaction **

** Brillouin-Wigner perturbation theory and limited configuration interaction **

** CID (Configuration Interaction with **

** CISD (Configuration Interaction with **

** CISD (Configuration Interaction with Singly and Doubly excited state **

** CISD (configuration interaction singles and **

** Chemical bonds configuration interaction **

** Cluster and Quadratic Configuration Interaction Methods **

** Complete configuration interaction **

** Complete-active-space configuration-interaction **

** Complex configuration interaction **

** Conductance/conduction configuration interaction **

** Configuration Interaction (CI) **

** Configuration Interaction (MRCI) **

** Configuration Interaction Graphical Representation **

** Configuration Interaction Involving Ionic Terms **

** Configuration Interaction and the Multiconfigurational Wavefunction **

** Configuration Interaction approach **

** Configuration Interaction approach SCF approximation **

** Configuration Interaction approach SCF states **

** Configuration Interaction method **

** Configuration Interaction method approximation **

** Configuration Interaction procedure **

** Configuration Interaction wave function **

** Configuration interaction (CI) method **

** Configuration interaction , open-shell **

** Configuration interaction , open-shell effect **

** Configuration interaction - singles **

** Configuration interaction 2 levels **

** Configuration interaction Bom-Oppenheimer approximation **

** Configuration interaction CASSCF technique **

** Configuration interaction CISDTQ **

** Configuration interaction Dirac-Fock calculations and **

** Configuration interaction FISCI (final **

** Configuration interaction Hamiltonian **

** Configuration interaction PCI-X and applications **

** Configuration interaction RHF dissociation **

** Configuration interaction Schrodinger equation **

** Configuration interaction Slater determinants **

** Configuration interaction a computations **

** Configuration interaction ab initio **

** Configuration interaction ab initio calculations **

** Configuration interaction accuracy **

** Configuration interaction and Mpller-Plesset perturbation methods **

** Configuration interaction and many-body methods **

** Configuration interaction and stationary wavefunctions **

** Configuration interaction and types **

** Configuration interaction ansatz **

** Configuration interaction approximate full CI methods **

** Configuration interaction argon ion **

** Configuration interaction atomic orbital basis **

** Configuration interaction basis for helium **

** Configuration interaction basis sets **

** Configuration interaction beryllium atom **

** Configuration interaction by perturbation **

** Configuration interaction calculations **

** Configuration interaction choice of orbitals **

** Configuration interaction coefficients **

** Configuration interaction computational aspects **

** Configuration interaction computational complexity of all-electron **

** Configuration interaction computational procedure **

** Configuration interaction computational scaling **

** Configuration interaction computer programs **

** Configuration interaction configurations from split-localized **

** Configuration interaction continuum formalism **

** Configuration interaction coupled cluster theory **

** Configuration interaction defined **

** Configuration interaction definition **

** Configuration interaction description **

** Configuration interaction direct **

** Configuration interaction direct methods **

** Configuration interaction dissociation curves **

** Configuration interaction double excitation **

** Configuration interaction doubly excited **

** Configuration interaction doubly excited configurations **

** Configuration interaction effective core potential **

** Configuration interaction electron correlation effect on excitation **

** Configuration interaction electron motion and **

** Configuration interaction electronic spectroscopy **

** Configuration interaction electronic transition energies **

** Configuration interaction energy values **

** Configuration interaction excitation level truncation **

** Configuration interaction excited electronic states **

** Configuration interaction expansion **

** Configuration interaction features **

** Configuration interaction first derivatives **

** Configuration interaction first-order **

** Configuration interaction first-order interacting space **

** Configuration interaction for beryllium **

** Configuration interaction for extended solids **

** Configuration interaction for generalized product functions **

** Configuration interaction for lithium **

** Configuration interaction frozen core approximation **

** Configuration interaction functionals and **

** Configuration interaction highly correlated **

** Configuration interaction implementation details **

** Configuration interaction in atoms **

** Configuration interaction in diatomic molecules **

** Configuration interaction in polyatomic molecules **

** Configuration interaction integral transformation **

** Configuration interaction ionisation **

** Configuration interaction linear variations method **

** Configuration interaction m-scheme **

** Configuration interaction many-body wavefunction **

** Configuration interaction mathematical methods **

** Configuration interaction matrix dimensions **

** Configuration interaction matrix elements **

** Configuration interaction matrix formation **

** Configuration interaction method advantages **

** Configuration interaction method definition **

** Configuration interaction method efficiency **

** Configuration interaction method nonrelativistic Hamiltonian **

** Configuration interaction method, energy **

** Configuration interaction method, energy water **

** Configuration interaction method, in theory **

** Configuration interaction method, in theory of ionization **

** Configuration interaction methods, in calculation **

** Configuration interaction methods, in calculation theory **

** Configuration interaction methods, in calculation treatment **

** Configuration interaction models **

** Configuration interaction molecular gradient **

** Configuration interaction molecular properties **

** Configuration interaction multiconfigurational second-order **

** Configuration interaction multireference, in CASSCF **

** Configuration interaction one-electron integrals **

** Configuration interaction optical rotatory strengths **

** Configuration interaction optimization techniques **

** Configuration interaction organic molecule spectroscopy **

** Configuration interaction other selection schemes **

** Configuration interaction parallelization **

** Configuration interaction parameter **

** Configuration interaction performance **

** Configuration interaction perturbation theory **

** Configuration interaction potential and average relativistic **

** Configuration interaction potential energy curves **

** Configuration interaction practical calculations **

** Configuration interaction probabilities **

** Configuration interaction problem definition **

** Configuration interaction r equations **

** Configuration interaction representation **

** Configuration interaction response **

** Configuration interaction restricted **

** Configuration interaction restricted active space **

** Configuration interaction results for **

** Configuration interaction results for other small molecules **

** Configuration interaction rule specification **

** Configuration interaction second quantization **

** Configuration interaction selection **

** Configuration interaction semiempirical calculations **

** Configuration interaction shielding calculation **

** Configuration interaction similarity-transformed **

** Configuration interaction simplification for **

** Configuration interaction simulation techniques **

** Configuration interaction single and double excitations **

** Configuration interaction single-excitation CIS) method **

** Configuration interaction singly excited **

** Configuration interaction singly excited <SCI) **

** Configuration interaction singly excited configurations **

** Configuration interaction size consistency **

** Configuration interaction size extensivity **

** Configuration interaction size extensivity corrections **

** Configuration interaction space reduction **

** Configuration interaction spectroscopic applications **

** Configuration interaction spin contamination **

** Configuration interaction state-selected **

** Configuration interaction symmetry basis **

** Configuration interaction symmetry-forbidden reaction **

** Configuration interaction terms **

** Configuration interaction test calculations **

** Configuration interaction theory **

** Configuration interaction theory approach **

** Configuration interaction theory single-reference Brillouin-Wigner **

** Configuration interaction transition dipole **

** Configuration interaction truncated **

** Configuration interaction two-electron integrals **

** Configuration interaction variational theorem **

** Configuration interaction wave **

** Configuration interaction wavefunction **

** Configuration interaction with singles and doubles **

** Configuration interaction, autoionization **

** Configuration interaction, conjugated chains **

** Configuration interaction, xviii **

** Configuration interaction. Interpretation of the terms **

** Configuration interactions classification **

** Configuration interactions methodology **

** Configuration interactions state functions **

** Configuration interactions under pressure **

** Configuration interaction—singles-only **

** Configuration of polymer chains steric interactions and **

** Configuration-interaction effects **

** Configuration-interaction method, in many-electron **

** Configuration-interaction methods electronic structure calculations **

** Configuration-interaction methods, applied **

** Configuration-interaction methods, applied to heterocycles **

** Configuration-interaction series **

** Configuration-interaction theory Davidson correction **

** Configuration-interaction theory Davidson method **

** Configuration-interaction theory Rayleigh method **

** Configuration-interaction theory choice of orbitals **

** Configuration-interaction theory dissociation **

** Configuration-interaction theory electronic gradient **

** Configuration-interaction theory helium atom **

** Configuration-interaction theory introduction **

** Configuration-interaction theory multireference CI wave functions **

** Configuration-interaction theory optimization methods **

** Configuration-interaction theory orbital rotations **

** Configuration-interaction theory representation **

** Configuration-interaction theory size-extensivity **

** Configuration-interaction theory truncated expansions **

** Configurational affected by interactions with surface **

** Configurational elastic interaction **

** Configurational interaction method **

** Configurational interaction singles **

** Configurational interaction singles CIS), excited state model **

** Connections between Coupled Cluster, Configuration Interaction and Perturbation Theory **

** Correlated models configuration interaction **

** Correlated models full configuration interaction **

** Correlation consistent configuration interaction **

** Correlation energy configuration interaction **

** Correlation, electron Configuration interaction, Coupled-cluster **

** Coupled-cluster and quadratic configuration interaction methods **

** Coupled-cluster theory, electron correlation configuration interaction calculations **

** Crystal configuration interaction model **

** Crystal field configuration interaction **

** Density functional theory/single excitation configuration interaction method (DFT **

** Derivatives multireference configuration interaction **

** Details of Configuration Interaction (CI) Calculations **

** Difference Dedicated Configuration Interaction **

** Dual configuration interaction **

** Effective core potentials all-electron, configuration interaction **

** Effective interactions in f" configuration **

** Effective interactions m f"" d configuration **

** Electron configuration interaction **

** Electron correlation configuration interaction **

** Electron correlation configuration interaction approach **

** Electron correlation methods configuration interaction **

** Electronic energy multireference configuration interaction **

** Electronic states configuration interaction **

** Electronic structure configuration interaction **

** Electronic structure configuration-interaction methods **

** Electronic structure methods configuration interaction method **

** Equation Relativistic configuration interaction **

** Equations of motion calculations and configurational interactions **

** Excitation configuration interaction **

** Excitation configuration interaction multireference double **

** Excited states configuration interaction **

** FCI, full configuration interaction **

** Fano configuration interaction **

** Four-component configuration interaction **

** Full configuration interaction **

** Full configuration interaction and wave function approximation **

** Full configuration interaction application **

** Full configuration interaction benchmark calculations **

** Full configuration interaction calculation **

** Full configuration interaction calibration **

** Full configuration interaction description **

** Full configuration interaction dissociation energy **

** Full configuration interaction effect **

** Full configuration interaction efficiency **

** Full configuration interaction energy **

** Full configuration interaction energy Slater determinant **

** Full configuration interaction energy mechanics **

** Full configuration interaction limit **

** Full configuration interaction method (FCI **

** Full configuration interaction methodology **

** Full configuration interaction potential energy curves **

** Full configuration interaction wave functions **

** Full configuration interaction wavefunction **

** Gradients multireference configuration interaction **

** H2 in minimal basis configuration interaction **

** Hamiltonian matrix, electron correlation configuration interaction **

** Hartree configuration interaction **

** Hartree-Fock Intermediate Neglect Configuration Interaction **

** Hartree-Fock equations/theory configuration interaction **

** Helium configuration interaction **

** Hydrogen configuration interaction **

** INDEX configuration interaction **

** INDO/singles configuration interaction **

** ISCI (initial state configuration interaction **

** Increased-Valence Theory and Configuration Interaction for **

** Interacting fragment configurations **

** Interaction potential of configurations **

** Interelectronic repulsion and configuration interaction **

** Intermediate coupling spin-orbit configuration interaction **

** Internally contracted configuration interaction **

** Internally contracted multi-reference configuration interaction **

** Limited configuration interaction **

** Limited configuration interaction Brillouin-Wigner perturbation **

** Limited configuration interaction expansion **

** Limited configuration interaction multi-reference Brillouin-Wigner **

** Limited configuration interaction perturbation theory **

** Limited configuration interaction theory and **

** Limited multi-reference configuration interaction, a posteriori **

** Limited multi-reference configuration interaction, a posteriori Brillouin-Wigner correction **

** MO methods, ab initio configuration interaction **

** Magnetic resonance methods, for configuration-interaction **

** Magnetic resonance methods, for configuration-interaction method **

** Many-body perturbation theory configuration interaction **

** Method of configuration interaction **

** Modified configuration interaction, for **

** Molecular orbital-configuration interaction **

** Molecular orbital-configuration interaction 452 Subject **

** Molecular orbital-configuration interaction MO-CI) **

** Molecules configuration interaction **

** Mpller-Plesset perturbation theory configuration interaction **

** Multi-Reference Configuration Interaction MRCI) methods **

** Multi-reference Brillouin-Wigner configuration interaction **

** Multi-reference configuration interaction **

** Multi-reference configuration interaction , performance **

** Multi-reference configuration interaction MRCI) **

** Multi-reference configuration interaction MRCI) approaches **

** Multi-reference configuration interaction calculations **

** Multi-reference configuration interaction methods for **

** Multi-reference configuration interaction with single and double excitations **

** Multi-reference method configuration interaction **

** Multi-reference-configuration interaction coupled-clusters **

** Multiconfiguration Configuration Interaction **

** Multireference Brillouin-Wigner configuration interaction expansions **

** Multireference configuration interaction **

** Multireference configuration interaction MRCI) **

** Multireference configuration interaction MRCI) methods **

** Multireference configuration interaction affinity **

** Multireference configuration interaction energy derivatives **

** Multireference configuration interaction expansions **

** Multireference configuration interaction method **

** Multireference configuration interaction model **

** Multireference configuration interaction model MRCI) **

** Multireference configuration interaction structure **

** Multireference configuration interaction wave functions **

** Multireference configuration interaction with **

** Multireference configuration interaction with singles level **

** Multireference configuration-interaction singles and doubles **

** Multireference double excitation configuration interaction theory **

** Multireference single- and double-excitation configuration interaction **

** Multireference singles-and-doubles configuration interaction method **

** Number configuration-interaction method **

** Parameterized Configuration Interaction **

** Parameterized Configuration Interaction PCI-X) method **

** Parameterized configuration interaction method **

** Perturbation configuration interaction using **

** Perturbation configuration interaction using localized orbitals **

** Perturbational configuration interaction **

** Perturbational configuration interaction method **

** Perturbational configuration interaction of localized orbitals **

** Perturbative Configuration Interaction **

** Perturbative Configuration Interaction charge densities **

** Perturbative Configuration Interaction description **

** Perturbative Configuration Interaction potential energy calculations **

** Perturbative Configuration Interaction using Localized Orbitals **

** Perturbative Configuration Interaction with Localized Orbitals **

** Polyatomic systems quantum configuration interaction **

** Post-self-consistent field configuration interaction **

** Potential energy surfaces, calculation configuration interaction **

** Probabilities in an interacting configuration **

** QCISD (Quadratic Configuration Interaction with Singles and Double **

** Quadratic Configuration Interaction calculations **

** Quadratic configuration interaction (QCI **

** Quadratic configuration interaction approximating large-basis-set **

** Quadratic configuration interaction including **

** Quadratic configuration interaction including single and double substitutions **

** Quadratic configuration interaction method **

** Quadratic configuration interaction method QCISD **

** Quadratic configuration interaction quantum chemistry **

** Quadratic configuration interaction single and **

** Quadratic configuration interaction single and double theory **

** Quadratic configuration interaction single-level method **

** Quadratic configuration interaction singles and doubles **

** Quadratic configuration interaction triples **

** Quadratic configuration interaction with **

** Quadratic configuration interaction with double and single excitations **

** Quadratic configuration interaction with singles and doubles **

** Quadratic configuration interaction with structure **

** Quadratic configuration interaction with technique **

** Quadratic configuration interaction, **

** Quadratic configuration-interaction theory **

** Quantum mechanics configurational interaction **

** Reaction mechanisms configuration interaction **

** Relativistic configuration interaction **

** Relativistic configuration interaction (CI) **

** Relativistic configuration-interaction Breit energy **

** Relativistic configuration-interaction higher-order **

** Relativistic configuration-interaction matrix **

** Restricted Hartree-Fock method configuration interaction **

** Restricted active space configuration interaction approach **

** Second order configuration interaction (SOCI **

** Second-order configuration interaction **

** Self-consistent field-configuration interaction **

** Self-consistent-field approximation configuration interaction **

** Similarity-transformed Hamiltonian configuration-interaction **

** Single double and quadruple configuration interaction **

** Single double and triple configuration interaction **

** Single double triple and quadruple configuration interaction **

** Single excitation configuration interactions approach **

** Single reference configuration interaction **

** Single reference configuration interaction expansions **

** Single-double configuration interaction **

** Single-double configuration interaction calculations **

** Single-excitation configuration interaction **

** Single/double excitation configurational interaction calculations **

** Size-consistent calculations, electron correlation configuration interaction **

** Spectroscopy oriented configuration interaction **

** Spin-Orbit Configuration Interaction Methods **

** Spin-orbit configuration interaction **

** Spin-orbit configuration interaction SO-CI) **

** State in configuration interaction **

** Substituted configuration interaction **

** Symmetry-adapted cluster configuration interaction **

** Symmetry-adapted cluster configuration interactions approach **

** Table-configuration interaction **

** Table-configuration interaction method **

** The Configuration Interaction Ansatz **

** The Configuration Interaction Approach **

** The Cost of Configuration Interaction Methods **

** The Valence Bond Configuration Interaction Method **

** The configuration-interaction model **

** Three-particle configuration interaction **

** Total full configuration interaction **

** Truncated Quadratic Configuration Interaction Methods **

** Truncated configuration interaction methods **

** Unrestricted Hartree-Fock method configuration interaction **

** Valence bond configuration interaction (VBCI **

** Valence bond-configuration interaction **

** Valence bond-configurational interaction **

** Valence bond-configurational interaction VBCI) model **

** Valence configuration interaction **

** Variational approach configuration interaction **

** Variational configuration interaction **

** Vibrational configuration interaction **

** Virtual configuration interaction **

** Wave-function based methods configuration interactions **