Kats, Danylo and Usvyat, Denis and Schuetz, Martin (2008) On the use of the Laplace transform in local correlation methods. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 10 (23). pp. 3430-3439. ISSN 1463-9076,
Full text not available from this repository.Abstract
The applicability of the Laplace transform ansatz of Almlof in the context of local correlation methods with a priori restricted sets of wavefunction parameters is explored. A new local MP2 method based on the Laplace transform ansatz is described, its relation to the local MP2 method based on the Pulay ansatz is elucidated, and its accuracy and efficiency are compared to the latter.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ELECTRON CORRELATION METHODS; PLESSET PERTURBATION-THEORY; DENSITY FITTING APPROXIMATIONS; CORRELATION ENERGIES; ORBITAL BASIS; MP2; TRIPLES; SYSTEMS; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > PD Dr. Denis Usvyat |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 23 Nov 2020 07:57 |
| Last Modified: | 23 Nov 2020 07:57 |
| URI: | https://pred.uni-regensburg.de/id/eprint/31752 |
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