Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal
Usvyat, Denis
, Maschio, Lorenzo , Manby, Frederick R., Casassa, Silvia , Schütz, Martin and Pisani, Cesare
(2007)
Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal.
Physical Review B 76 (7).
Date of publication of this fulltext: 19 Dec 2024 13:47
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| Item type | Article | ||||
| Journal or Publication Title | Physical Review B | ||||
| Publisher: | AMER PHYSICAL SOC | ||||
|---|---|---|---|---|---|
| Place of Publication: | COLLEGE PK | ||||
| Volume: | 76 | ||||
| Number of Issue or Book Chapter: | 7 | ||||
| Date | 2007 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry | ||||
| Identification Number |
| ||||
| Keywords | ELECTRON CORRELATION METHODS; COUPLED-CLUSTER THEORY; AUXILIARY BASIS-SETS; HIGH-PRESSURE PHASE; SOLID CO2; PERTURBATION-THEORY; APPROXIMATE INTEGRALS; MOLECULAR-CRYSTALS; MP2 CALCULATIONS; HARTREE-FOCK; | ||||
| 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 | 68984 |
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