Matches in SemOpenAlex for { <https://semopenalex.org/work/W2783992437> ?p ?o ?g. }
- W2783992437 abstract "This work proposes the variational determination of two-electron reduced density matrices corresponding to the ground state of N-electron systems within the doubly occupied-configuration-interaction methodology. The P, Q, and G two-index N-representability conditions have been extended to the T1 and T2 (T2′) three-index ones and the resulting optimization problem has been addressed using a standard semidefinite program. We report results obtained from the doubly occupied-configuration-interaction method, from the two-index constraint variational procedure and from the two- and three-index constraint variational treatment. The discussion of these results along with a study of the computational cost demanded shows the usefulness of our proposal." @default.
- W2783992437 created "2018-01-26" @default.
- W2783992437 creator A5003537610 @default.
- W2783992437 creator A5007083193 @default.
- W2783992437 creator A5016604119 @default.
- W2783992437 creator A5021296986 @default.
- W2783992437 creator A5031467676 @default.
- W2783992437 creator A5046373463 @default.
- W2783992437 creator A5067765622 @default.
- W2783992437 creator A5071501567 @default.
- W2783992437 creator A5090075768 @default.
- W2783992437 creator A5090639867 @default.
- W2783992437 date "2018-01-09" @default.
- W2783992437 modified "2023-10-18" @default.
- W2783992437 title "Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index <i>N</i>-representability conditions" @default.
- W2783992437 cites W1427628407 @default.
- W2783992437 cites W1876782262 @default.
- W2783992437 cites W1963685363 @default.
- W2783992437 cites W1965120816 @default.
- W2783992437 cites W1974037734 @default.
- W2783992437 cites W1979342886 @default.
- W2783992437 cites W1980395131 @default.
- W2783992437 cites W1980700804 @default.
- W2783992437 cites W1988159241 @default.
- W2783992437 cites W1992716205 @default.
- W2783992437 cites W1992760098 @default.
- W2783992437 cites W1999346385 @default.
- W2783992437 cites W2004137786 @default.
- W2783992437 cites W2006817326 @default.
- W2783992437 cites W2008716661 @default.
- W2783992437 cites W2014209007 @default.
- W2783992437 cites W2018692113 @default.
- W2783992437 cites W2025795091 @default.
- W2783992437 cites W2028107163 @default.
- W2783992437 cites W2029430790 @default.
- W2783992437 cites W2039001221 @default.
- W2783992437 cites W2047397437 @default.
- W2783992437 cites W2049719036 @default.
- W2783992437 cites W2056226625 @default.
- W2783992437 cites W2056263473 @default.
- W2783992437 cites W2056887878 @default.
- W2783992437 cites W2057185841 @default.
- W2783992437 cites W2058273402 @default.
- W2783992437 cites W2058360119 @default.
- W2783992437 cites W2058572640 @default.
- W2783992437 cites W2065773944 @default.
- W2783992437 cites W2072760290 @default.
- W2783992437 cites W2110769624 @default.
- W2783992437 cites W2244041926 @default.
- W2783992437 cites W2317260634 @default.
- W2783992437 cites W2495457432 @default.
- W2783992437 cites W2597971775 @default.
- W2783992437 cites W2747623417 @default.
- W2783992437 cites W2912522929 @default.
- W2783992437 cites W4229691871 @default.
- W2783992437 cites W4238839880 @default.
- W2783992437 cites W589452941 @default.
- W2783992437 doi "https://doi.org/10.1063/1.5008811" @default.
- W2783992437 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29331147" @default.
- W2783992437 hasPublicationYear "2018" @default.
- W2783992437 type Work @default.
- W2783992437 sameAs 2783992437 @default.
- W2783992437 citedByCount "24" @default.
- W2783992437 countsByYear W27839924372018 @default.
- W2783992437 countsByYear W27839924372019 @default.
- W2783992437 countsByYear W27839924372020 @default.
- W2783992437 countsByYear W27839924372021 @default.
- W2783992437 countsByYear W27839924372022 @default.
- W2783992437 countsByYear W27839924372023 @default.
- W2783992437 crossrefType "journal-article" @default.
- W2783992437 hasAuthorship W2783992437A5003537610 @default.
- W2783992437 hasAuthorship W2783992437A5007083193 @default.
- W2783992437 hasAuthorship W2783992437A5016604119 @default.
- W2783992437 hasAuthorship W2783992437A5021296986 @default.
- W2783992437 hasAuthorship W2783992437A5031467676 @default.
- W2783992437 hasAuthorship W2783992437A5046373463 @default.
- W2783992437 hasAuthorship W2783992437A5067765622 @default.
- W2783992437 hasAuthorship W2783992437A5071501567 @default.
- W2783992437 hasAuthorship W2783992437A5090075768 @default.
- W2783992437 hasAuthorship W2783992437A5090639867 @default.
- W2783992437 hasBestOaLocation W27839924372 @default.
- W2783992437 hasConcept C106487976 @default.
- W2783992437 hasConcept C113603373 @default.
- W2783992437 hasConcept C121332964 @default.
- W2783992437 hasConcept C134306372 @default.
- W2783992437 hasConcept C136764020 @default.
- W2783992437 hasConcept C147120987 @default.
- W2783992437 hasConcept C181500209 @default.
- W2783992437 hasConcept C185592680 @default.
- W2783992437 hasConcept C18762648 @default.
- W2783992437 hasConcept C2524010 @default.
- W2783992437 hasConcept C2776036281 @default.
- W2783992437 hasConcept C2777382242 @default.
- W2783992437 hasConcept C2777529809 @default.
- W2783992437 hasConcept C28826006 @default.
- W2783992437 hasConcept C33923547 @default.
- W2783992437 hasConcept C41008148 @default.
- W2783992437 hasConcept C43617362 @default.
- W2783992437 hasConcept C56911000 @default.
- W2783992437 hasConcept C62520636 @default.