Note on the choice of basis set in density functional theory calculations for electronic structures of molecules (test on the atoms from the first three rows of the periodic table (2 ⩽ N ⩽ Z ⩽ 18), water, ammonia and pyrrole)-Reference-Cited by-同舟云学术

Note on the choice of basis set in density functional theory calculations for electronic structures of molecules (test on the atoms from the first three rows of the periodic table (2 ⩽ N ⩽ Z ⩽ 18), water, ammonia and pyrrole)

Published:1995-12 Issue:1-2 Volume:247 Page:101-111
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Kristyán Sándor

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference22 articles.

1. Modern quantum chemistry: Introduction to advanced electronic structure theory;Szabo,1982

2. density-functional theory of atoms and molecules;Parr,1989

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. Note on an Approximation Treatment for Many-Electron Systems

5. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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