Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method
An analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field (MOZ-SCF) method is presented. MOZ-SCF theory is one of the theories to considering the solvent effects on the solute electronic structure in solution. [Yoshida N. et al., J. Chem. Phys., 2000, 113, 4974] M...
Saved in:
| Published in: | Condensed Matter Physics |
|---|---|
| Date: | 2007 |
| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2007
|
| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/118700 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method / N. Yoshida // Condensed Matter Physics. — 2007. — Т. 10, № 3(51). — С. 363-372. — Бібліогр.: 35 назв. — англ. |