Simulation of nondynamical correlation in density functional calculations by the optimized fractional orbital occupation approach: Application to the potential energy surfaces of O3 and SO2-Reference-Cited by-同舟云学术

Simulation of nondynamical correlation in density functional calculations by the optimized fractional orbital occupation approach: Application to the potential energy surfaces of O3 and SO2

Published:1996-09-15 Issue:11 Volume:105 Page:4641-4648
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Wang S. G.,Schwarz W. H. E.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.472307

Reference40 articles.

1. Symmetry in density-functional theory

2. Preliminary results on the performance of a family of density functional methods

3. Preliminary results on the performance of a family of density functional methods

4. A CAS SCF CI study of the 1Σ+g and 3IIu states of the C2 molecule and the 4Σ−g and 2IIu states of the C+2 ion

5. Basis set effects on spectroscopic constants for C2 and Si2 and the symmetry dilemma in the Xα model

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