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The extension of the fragment molecular orbital method with the many-particle Green’s function

✍ Scribed by Yasuda, Koji; Yamaki, Daisuke

Book ID
115465220
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
365 KB
Volume
125
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES

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The extension of the molecular field method in the many particle problem
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## Abstract The polarizable continuum model (PCM) for the description of solvent effects is combined with the fragment molecular orbital (FMO) method at several levels of theory, using a many‐body expansion of the electron density and the corresponding electrostatic potential, thereby determining s