Methods for gvb and extended wavefunctions and for dft

  • William A. Goddard

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

Initially, my goal as a GS was to extract from QM unique new concepts into how chemical bonding determines the remarkable varieties of structures, properties, and reactivity. However the new GVB wave functions required more sophisticated methods to optimize the wave functions. We describe here some of these advances.

Original languageEnglish
Title of host publicationSpringer Series in Materials Science
PublisherSpringer Science and Business Media Deutschland GmbH
Pages1033-1048
Number of pages16
DOIs
Publication statusPublished - 1 Jan 2021
Externally publishedYes

Publication series

NameSpringer Series in Materials Science
Volume284
ISSN (Print)0933-033X
ISSN (Electronic)2196-2812

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