CaltechAUTHORS
  A Caltech Library Service

Methods for GVB and Extended Wavefunctions and for DFT

Goddard, William A., III (2021) Methods for GVB and Extended Wavefunctions and for DFT. In: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer Series in Materials Science. No.284. Springer International Publishing , Cham, pp. 1033-1048. ISBN 978-3-030-18777-4. https://resolver.caltech.edu/CaltechAUTHORS:20210127-080636206

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:20210127-080636206

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.


Item Type:Book Section
Related URLs:
URLURL TypeDescription
https://doi.org/10.1007/978-3-030-18778-1_42DOIArticle
ORCID:
AuthorORCID
Goddard, William A., III0000-0003-0097-5716
Additional Information:© Springer Nature Switzerland AG 2021. First Online: 26 January 2021.
Other Numbering System:
Other Numbering System NameOther Numbering System ID
WAG1437
Series Name:Springer Series in Materials Science
Issue or Number:284
Record Number:CaltechAUTHORS:20210127-080636206
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20210127-080636206
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:107759
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:27 Jan 2021 18:05
Last Modified:06 Jun 2021 06:11

Repository Staff Only: item control page