# SEARCH

** Antisymmetrized wave function, electronic structure calculations **

** Calculation of molecular electronic wave functions and energies **

** Coefficients of wave functions calculation **

** Coulomb operator wave function calculations **

** Coulombic repulsion wave function calculations **

** Density functional theory wave function calculations **

** Electronic structure wave-function calculations **

** Exchange operator wave function calculations, functionals **

** Extending the Wave Function Calculation **

** Fock operator, wave function calculations **

** Functionals, wave function calculations **

** Functionals, wave function calculations **

** Hamiltonian operator wave-function based calculations **

** Hohenberg-Kohn theorem, wave function calculations **

** Independent-particle model, wave function calculations **

** Kohn-Sham theorem, wave function calculations **

** Many-electron wave functions, electronic structure calculations **

** Multiple-scattering theory wave function calculations **

** Orbitals, wave-function calculations **

** Reaction mechanisms wave-function calculations **

** Self-repulsion energy, wave function calculations **

** Variational calculations wave function expansion, correlation **