Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies
Heßelmann, A., Jansen, G. and Schütz, M.
(2005)
Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies.
The Journal of Chemical Physics 122 (1).
Date of publication of this fulltext: 19 Dec 2024 15:05
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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: | 122 | ||||
| Number of Issue or Book Chapter: | 1 | ||||
| Date | 2005 | ||||
| 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 | KOHN-SHAM ORBITALS; VAN-DER-WAALS; BENZENE DIMER; BASIS-SETS; DISPERSION ENERGIES; CO; APPROXIMATIONS; ACETYLENE; MODEL; MP2; | ||||
| 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 | 71045 |
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