Perdew, J. P. & Zunger, A. Self-interaction correction to density-functional approximations for many-electron systems.
Appendix C of J. P. Perdew and A. Zunger, Self-interaction correction to density-functional approximations for many-electron systems, Phys.
Second, an evidence is presented that one may be able to represent the virtually exact ground- and excited-state wave functions of many-electron systems by exponential cluster expansions employing general two-body or one- and two-body operators.
This finding may have a significant impact on future quantum calculations for many-electron systems, since normally one needs triply excited, quadruply excited, and other higher-than-doubly excited Slater determinants, in addition to all singly and doubly excited determinants, to obtain the exact or virtually exact wave functions.
In a similar spirit, Scerri points out that the quantum mechanical calculations of atomic spectra standardly presented in chemistry textbooks make highly idealized assumptions about the structure of many-electron systems.
Thus, in the late 1980s, density functional theory (DFT) coupled with local density corrected approximation (LDA) was developed as an alternative approximation method to derive reliable solutions to the Schrödinger equation for many-electron systems.
A new procedure to reduce the iteration cost should be found in order to increase the applicability of the proposed algorithm for the calculation of essentially exact ground-state energies of many-electron systems.
It computes the linear response of an interacting many-electron system from its ground-state electronic structures, which are obtained from ab initio band structure calculations in the plane-wave and pseudopotential scheme.
Perdew, J. P., Burke, K. & Wang, Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system.
Many-electron system in this case is replaced with a system of noninteracting abstract particles which move in specific effective potential.
