SEARCH Articles Figures Tables A posteriori Brillouin-Wigner correction to limited multi-reference configuration interaction Anharmonicity vibrational configuration interaction Approximations , Adiabatic configuration interaction method Arbitrary 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 perturbation theory and limited configuration interaction CISD (Configuration Interaction with 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 Configuration Interaction Configuration Interaction (CI) Configuration Interaction (MRCI) Configuration Interaction Involving Ionic Terms Configuration Interaction approach 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 CASSCF technique Configuration interaction CISDTQ Configuration interaction FISCI (final Configuration interaction Hamiltonian Configuration interaction PCI-X and applications Configuration interaction Schrodinger equation Configuration interaction Slater determinants Configuration interaction ab initio Configuration interaction accuracy Configuration interaction and Configuration interaction and stationary wavefunctions Configuration interaction ansatz Configuration interaction atomic orbital basis Configuration interaction basis sets Configuration interaction beryllium atom Configuration interaction by perturbation Configuration interaction calculations Configuration interaction coefficients Configuration interaction computational aspects Configuration interaction computational procedure Configuration interaction computational scaling Configuration interaction computer programs 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 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 frozen core approximation Configuration interaction highly correlated Configuration interaction integral transformation Configuration interaction ionisation Configuration interaction linear variations method Configuration interaction many-body wavefunction Configuration interaction mathematical methods 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 models Configuration interaction molecular gradient Configuration interaction molecular properties Configuration interaction multiconfigurational second-order 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 energy curves Configuration interaction practical calculations Configuration interaction probabilities Configuration interaction representation Configuration interaction response Configuration interaction restricted Configuration interaction restricted active space 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 simulation techniques Configuration interaction singly excited Configuration interaction singly excited configurations Configuration interaction size consistency Configuration interaction size extensivity Configuration interaction size extensivity corrections 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 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 interactions classification Configuration interactions methodology Configuration interactions state functions Configuration interactions under pressure Configuration interaction—singles-only Configuration-interaction effects Configuration-interaction methods electronic structure calculations Configuration-interaction methods, applied Configuration-interaction series Configuration-interaction theory Davidson correction Configuration-interaction theory Davidson method Configuration-interaction theory Rayleigh method Configuration-interaction theory dissociation Configuration-interaction theory electronic gradient Configuration-interaction theory helium atom Configuration-interaction theory introduction 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 elastic interaction Configurational interaction method Configurational interaction singles 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 Derivatives multireference configuration interaction Difference Dedicated Configuration Interaction Dual configuration interaction 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 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 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 exact solution of approximate problem Full configuration interaction limit Full configuration interaction potential energy curves Full configuration interaction wave functions Full configuration interaction wavefunction Gradients multireference 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 Intermediate coupling spin-orbit configuration interaction Internally contracted configuration interaction Internally contracted multi-reference configuration interaction Kramers-restricted configuration interaction Kramers-unrestricted 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 Low-Lying Excited States of Lanthanide Diatomics Studied by Four-Component Relativistic Configuration Interaction Methods MR configuration interaction Many-body perturbation theory configuration interaction Method of configuration interaction 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 Brillouin-Wigner perturbation theory for limited 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 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 structure Multireference configuration interaction wave functions Multireference configuration interaction with Multireference configuration interaction with singles level Multireference double excitation configuration interaction theory Multireference single- and double-excitation configuration interaction Nonorthonormal configuration interaction 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 Perturbative Configuration Interaction Perturbative Configuration Interaction description Perturbative Configuration Interaction potential energy calculations Perturbative Configuration Interaction using Localized Orbitals Perturbative Configuration Interaction with Localized Orbitals Post-self-consistent field configuration interaction Potential energy surfaces, calculation configuration interaction Quadratic Configuration Interaction calculations Quadratic configuration interaction (QCI 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-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 (RCI) Method Relativistic configuration interaction 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 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 Spinorbitals, Slater Determinants, and 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 Vibrational configuration interaction (VCI Virtual configuration interaction Wave-function based methods configuration interactions Zero-point energy vibrational configuration interaction