SEARCH Articles Figures Tables A Appendix Density of states and partition functions AGha functional state change Advanced ab initio Methods, Density Functional Theory and Solid-state Quantum Mechanics An example state functions of a mixture Atomic state function Atomic state wave function Basis functions constructing transfer state function Benzene, charge density- functions electronic states Calorimetry state functions Cell states, functional Changes in State Functions Cinnamoyloxy group state functions Classical thermodynamic state functions Configuration interactions state functions Configuration state function definition Configuration state function trial vectors Configuration state function, CSF Configuration state functions Configuration state functions , direct Configuration state functions compared Configuration state functions parity Configurational State Functions Continuous state function Correlation function quasi-stationary state Corresponding-states function integrals Coulomb bound-state wave function Coupled-cluster theory ground-state wave function Density function theory excited states Density functional theory excited state properties Density functional theory ground state properties Density functional theory state of the art Density functional transition states Density of states function Dirac function symmetric states Distribution functions, steady-state plasma Do We Know the Ground State Wave Function in Density Functional Theory Electronic States in Solids-The Fermi Distribution Function Electronic excited states basis functions Electronic states density functional method Electronic states time-dependent wave functions Energy as a function of state Energy of the Ideal Gas from State Functions Enthalpy as a function of state Enthalpy as a state function Enthalpy as state function Enthalpy state function Entropy as a function of state Entropy as a state function Entropy as state function Exact Differentials and State Functions Excitation function state-specific Excited States from Time-Dependent Density Functional Theory Excited states wave functions Final state radial wave functions First law of thermodynamics state functions Free energy as state function Fukui function ground-state density Function of state Functional groups oxidation state Functional groups states Functions of state variables Functions of the state distribution Functions state function Functions state function Generalized transition state partition function Ground state functional Ground state functions Ground-State Wigner Function for the D-dimensional Hydrogen Atom Ground-state density functional theory Ground-state electronic wave function Ground-state energy functional Ground-state partition function Ground-state wave function Ground-state wave function Hamiltonian equations Ground-state wave function conical intersections Ground-state wave function effect Ground-state wave function effective Hamiltonians Ground-state wave function electronic Hamiltonian, spin-orbit Ground-state wave function hydrogen molecule Ground-state wave function interactions Ground-state wave function model Ground-state wave function nonlinear molecules Ground-state wave function observability Ground-state wave function reaction Hartree-Fock function ground state Hartree-Fock wave functions multiple electronic states Heat Capacity at Constant Pressure of Inorganic and Organic Compounds in the Ideal Gas State Fit to Hyperbolic Functions Cp Hydrogenic wave functions, bound-state INDEX state function Identity state functions Intensive state function Limit state function Material Functions for Steady-State Elongational Flow Material Functions for Steady-State Shear Flow Material state statistical distribution functions Mathematical Properties of State Functions Mathematical relations between the various functions of state Measurement thermodynamic state functions Mechanical state function Microbial state function Microscopic state function Molecular function metastable state decay Molecular modelling solid-state density functional methods Non-state function Organic functional groups relative oxidation states Oxidation States of Alcohols and Related Functional Groups Partition function in transition state theory Partition function internal energy states Perturbed Stationary-State Wave Functions Phonon states, -functions Physics basics state functions Postulate of Operators and State Functions Potential energy functions first excited singlet state Quantum state function Quantum states, energy levels and wave functions Quantum well states density functional theory Reference-state density functional theory Reference-state density functional theory definition Resonance state localized functions, scattering states Rydberg states quantum defect functions S, state function Scattering states distribution function Semiempirical wave functions electronic states Singlet ground state, HPHF function Singlet state density functional calculations Solid state molecules density functional perturbation theory Solid state molecules density functional theory Solid-state density functional methods Solution density-of-states functions Spherical polar coordinates state functions State Functions for Systems of Variable Composition State Functions from Fundamental Forms State and Function State equations from transfer functions State function A property that is independent of the pathway State function change State function defined State function energy State function entropy State function free energy State function internal energy State function preparation State function reaction profile State function, integrating State function: definition State functions State functions State functions and independent variables State functions natural variable equations State functions reversible/irreversible processes State probabilities and hazard functions State variables and characteristic functions of a phase State wave function and States and state functions States by Wave Functions Stationary state, functionals Statistical thermodynamics state functions Steady-state distribution, spectral function Sum-over-states density functional Sum-over-states density functional perturbation Sum-over-states density functional perturbation theory Surface states dielectric function System state function System, continued state function The Basis State Functions The Bound-State Hydrogen-Atom Wave Functions The internal energy as a state function Thermochemical equations state functions Thermochemical state functions Thermochemistry state functions Thermodynamic state function Thermodynamics functions of state Thermodynamics state function Thermodynamics state functions and Thermodynamics states and state functions Toward the Construction of Functional Solid-State Supramolecular Metal Transfer state function, constructing with Transfer state function, constructing with basis functions Transition state flux correlation function Transition state partition function Transition state theory partition function Transition state theory thermodynamic functions Transition state theory yield function Valence-state wave function Wave Functions and Energies for the Ground State of Wave function mixed-spin state Wave function of state Wave function state Wave function, electronic excited state Wigner function truncated states