Fragment-Based Direct-Local-Ring-Coupled-Cluster Doubles Treatment Embedded in the Periodic Hartree–Fock Solution
Masur, Oliver, Schütz, Martin, Maschio, Lorenzo
and Usvyat, Denis
(2016)
Fragment-Based Direct-Local-Ring-Coupled-Cluster Doubles Treatment Embedded in the Periodic Hartree–Fock Solution.
Journal of Chemical Theory and Computation 12 (10), pp. 5145-5156.
Date of publication of this fulltext: 17 Mar 2020 12:08
Article
Alternative links to fulltext
Involved Institutions
Details
| Item type | Article | ||||
| Journal or Publication Title | Journal of Chemical Theory and Computation | ||||
| Publisher: | AMER CHEMICAL SOC | ||||
|---|---|---|---|---|---|
| Place of Publication: | WASHINGTON | ||||
| Volume: | 12 | ||||
| Number of Issue or Book Chapter: | 10 | ||||
| Page Range: | pp. 5145-5156 | ||||
| Date | 2016 | ||||
| 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 |
| ||||
| Keywords | PLESSET PERTURBATION-THEORY; DENSITY-FUNCTIONAL-THEORY; COMPOSITE ENERGY-BANDS; ELECTRON CORRELATION; WANNIER FUNCTIONS; AB-INITIO; MP2 CALCULATIONS; CONDENSED-PHASE; COHESIVE ENERGY; SYSTEMS; | ||||
| 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 | 42965 |
Export bibliographical data
Owner only: item control page
Altmetric
Altmetric