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
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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 | ||||||
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| Additional Information: | © Springer Nature Switzerland AG 2021. First Online: 26 January 2021. | ||||||
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| Series Name: | Springer Series in Materials Science | ||||||
| Issue or Number: | 284 | ||||||
| DOI: | 10.1007/978-3-030-18778-1_42 | ||||||
| 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: | 16 Nov 2021 19:06 |
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