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Local CC2 electronic excitation energies for large molecules with density fitting
Kats, Danylo
, Korona, Tatiana and Schütz, Martin
(2006)
Local CC2 electronic excitation energies for large molecules with density fitting.
The Journal of Chemical Physics 125 (10).
Date of publication of this fulltext: 19 Dec 2024 14:33
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| Item type | Article | ||||
| Journal or Publication Title | The Journal of Chemical Physics | ||||
| Publisher: | AMER INST PHYSICS | ||||
|---|---|---|---|---|---|
| Place of Publication: | MELVILLE | ||||
| Volume: | 125 | ||||
| Number of Issue or Book Chapter: | 10 | ||||
| Date | 2006 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz | ||||
| Identification Number |
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| Keywords | COUPLED-CLUSTER THEORY; PLESSET PERTURBATION-THEORY; DIRECT CONFIGURATION-INTERACTION; EXCITED-STATE PROPERTIES; LINEAR-RESPONSE FUNCTION; BASIS-SETS; WAVE-FUNCTIONS; DOUBLES MODEL; SINGLES; APPROXIMATIONS; | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 69804 |
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