Can STO basis sets do a good job in evaluating molecular electromagnetic properties? I. First hyperpolarizability of H<subscript>2</subscript>O, CH<subscript>4</subscript>, and NH<subscript>3</subscript> according to the TDHF theory
In: Theoretical Chemistry Accounts: Theory, Computation and Modeling, Jg. 111 (2004-03-01), Heft 2-6, S. 414-421
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Zugriff:
Titel: |
Can STO basis sets do a good job in evaluating molecular electromagnetic properties? I. First hyperpolarizability of H<subscript>2</subscript>O, CH<subscript>4</subscript>, and NH<subscript>3</subscript> according to the TDHF theory
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Autor/in / Beteiligte Person: | Lamanna, Ugo T. ; Guidotti, Carla ; Durante, Nicola ; Arrighini, Giovanni P. |
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Zeitschrift: | Theoretical Chemistry Accounts: Theory, Computation and Modeling, Jg. 111 (2004-03-01), Heft 2-6, S. 414-421 |
Veröffentlichung: | 2004 |
Medientyp: | academicJournal |
ISSN: | 1432-881X (print) ; 1432-2234 (print) |
DOI: | 10.1007/s00214-003-0543-2 |
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