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MP2 versus density-functional theory study of the Compton profiles of crystalline urea
Erba, Alessandro
, Pisani, Cesare, Casassa, Silvia , Maschio, Lorenzo , Schütz, Martin and Usvyat, Denis
(2010)
MP2 versus density-functional theory study of the Compton profiles of crystalline urea.
Physical Review B 81 (16).
Date of publication of this fulltext: 19 Dec 2024 11:38
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| Item type | Article | ||||
| Journal or Publication Title | Physical Review B | ||||
| Publisher: | AMER PHYSICAL SOC | ||||
|---|---|---|---|---|---|
| Place of Publication: | COLLEGE PK | ||||
| Volume: | 81 | ||||
| Number of Issue or Book Chapter: | 16 | ||||
| Date | 2010 | ||||
| Institutions | 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 | ||||
| Identification Number |
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| Keywords | GENERALIZED-GRADIENT APPROXIMATION; LOCALIZED WANNIER FUNCTIONS; AB-INITIO; MOLECULAR-CRYSTALS; MOMENTUM DENSITY; ELECTRON-DENSITY; CHARGE-DENSITY; ENERGY; DISTRIBUTIONS; ICE; | ||||
| 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 | 66191 |
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