FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2010802907> ?p ?o ?g. }

• W2010802907 endingPage "1227" @default.
• W2010802907 startingPage "1206" @default.
• W2010802907 abstract "The geminals of a many-electron separated pair wavefunction are expanded in terms of their natural orbitals, and a variational procedure is developed for their determination. Within this framework, natural orbitals of the separated pair wavefunction for the 3Σ− ground state of the imidogen, NH, molecule and the S4 ground state of the nitrogen atom are calculated, and in order to give a pictorial appreciation of their structures, contour maps have been drawn for them. Several physical properties of the NH molecular system are calculated, namely the total energy, the dissociation energy, the equilibrium internuclear distance, the molecular potential-energy curve, the spectroscopic constants, the molecular dipole and quadrupole moments, and various other one- and two-electron expectation values. Of greatest interest is the correlation energy recovered by the separated pair wavefunction and, for this reason, a detailed analysis of the correlation is given in terms of the geminals and the natural orbitals. The study reveals that the separated pair approximation provides a suitable description of part of the electronic correlation in NH but, on the other hand, is too restrictive to yield a complete description of all the various electronic correlations in this molecular system. Nevertheless, the analysis does shed light on the nature of the omitted part of the correlation and suggests directions for future improvements." @default.
• W2010802907 created "2016-06-24" @default.
• W2010802907 creator A5036227035 @default.
• W2010802907 creator A5039671080 @default.
• W2010802907 creator A5087969901 @default.
• W2010802907 date "1970-02-01" @default.
• W2010802907 modified "2023-10-08" @default.
• W2010802907 title "Electron Correlation and Separated Pair Approximation in Diatomic Molecules. III. Imidogen" @default.
• W2010802907 cites W1966582858 @default.
• W2010802907 cites W1967536594 @default.
• W2010802907 cites W1977024996 @default.
• W2010802907 cites W1979032728 @default.
• W2010802907 cites W1979895695 @default.
• W2010802907 cites W1986781840 @default.
• W2010802907 cites W1990306757 @default.
• W2010802907 cites W1990703904 @default.
• W2010802907 cites W1992617026 @default.
• W2010802907 cites W1995248569 @default.
• W2010802907 cites W1996354967 @default.
• W2010802907 cites W1997205928 @default.
• W2010802907 cites W2002373241 @default.
• W2010802907 cites W2009190921 @default.
• W2010802907 cites W2011463759 @default.
• W2010802907 cites W2012932237 @default.
• W2010802907 cites W2015295526 @default.
• W2010802907 cites W2029004201 @default.
• W2010802907 cites W2031130806 @default.
• W2010802907 cites W2032499108 @default.
• W2010802907 cites W2033488079 @default.
• W2010802907 cites W2034665000 @default.
• W2010802907 cites W2036228377 @default.
• W2010802907 cites W2037073710 @default.
• W2010802907 cites W2038947876 @default.
• W2010802907 cites W2040194186 @default.
• W2010802907 cites W2045021855 @default.
• W2010802907 cites W2046110703 @default.
• W2010802907 cites W2046483751 @default.
• W2010802907 cites W2051708418 @default.
• W2010802907 cites W2052116235 @default.
• W2010802907 cites W2053718670 @default.
• W2010802907 cites W2055149715 @default.
• W2010802907 cites W2060197685 @default.
• W2010802907 cites W2064370828 @default.
• W2010802907 cites W2071715946 @default.
• W2010802907 cites W2074338462 @default.
• W2010802907 cites W2079028799 @default.
• W2010802907 cites W2080141208 @default.
• W2010802907 cites W2080247987 @default.
• W2010802907 cites W2080284232 @default.
• W2010802907 cites W2080314891 @default.
• W2010802907 cites W2087100006 @default.
• W2010802907 cites W2090644814 @default.
• W2010802907 cites W2107860093 @default.
• W2010802907 cites W2116055831 @default.
• W2010802907 cites W2126313006 @default.
• W2010802907 cites W2152847760 @default.
• W2010802907 cites W2312335452 @default.
• W2010802907 cites W2312664633 @default.
• W2010802907 cites W2318653345 @default.
• W2010802907 cites W2320986188 @default.
• W2010802907 cites W2327346445 @default.
• W2010802907 cites W2328045038 @default.
• W2010802907 cites W2801216251 @default.
• W2010802907 cites W4252733576 @default.
• W2010802907 doi "https://doi.org/10.1063/1.1673116" @default.
• W2010802907 hasPublicationYear "1970" @default.
• W2010802907 type Work @default.
• W2010802907 sameAs 2010802907 @default.
• W2010802907 citedByCount "49" @default.
• W2010802907 countsByYear W20108029072012 @default.
• W2010802907 countsByYear W20108029072013 @default.
• W2010802907 countsByYear W20108029072015 @default.
• W2010802907 countsByYear W20108029072017 @default.
• W2010802907 countsByYear W20108029072021 @default.
• W2010802907 countsByYear W20108029072022 @default.
• W2010802907 countsByYear W20108029072023 @default.
• W2010802907 crossrefType "journal-article" @default.
• W2010802907 hasAuthorship W2010802907A5036227035 @default.
• W2010802907 hasAuthorship W2010802907A5039671080 @default.
• W2010802907 hasAuthorship W2010802907A5087969901 @default.
• W2010802907 hasConcept C111806078 @default.
• W2010802907 hasConcept C113603373 @default.
• W2010802907 hasConcept C121332964 @default.
• W2010802907 hasConcept C139358910 @default.
• W2010802907 hasConcept C147120987 @default.
• W2010802907 hasConcept C147597530 @default.
• W2010802907 hasConcept C173523689 @default.
• W2010802907 hasConcept C184779094 @default.
• W2010802907 hasConcept C185592680 @default.
• W2010802907 hasConcept C189394030 @default.
• W2010802907 hasConcept C196609583 @default.
• W2010802907 hasConcept C32909587 @default.
• W2010802907 hasConcept C35052450 @default.
• W2010802907 hasConcept C62520636 @default.
• W2010802907 hasConcept C69523127 @default.
• W2010802907 hasConcept C84551667 @default.
• W2010802907 hasConcept C86025842 @default.
• W2010802907 hasConceptScore W2010802907C111806078 @default.

• next