Matches in SemOpenAlex for { <https://semopenalex.org/work/W2068588033> ?p ?o ?g. }
- W2068588033 endingPage "450" @default.
- W2068588033 startingPage "435" @default.
- W2068588033 abstract "A modification of Moffit's method of atoms in molecules is here proposed. In this treatment, the modified atomic functions X are introduced, which are made up from the exact eigenfunctions of atoms modified by correction factors so as to take account of the deformation of atoms in molecules. The advantage of these basic functions X is as follows. Firstly, the difficulty caused by the correlation energy in atoms can be removed by the use of the experimental atomic term values just as in Moffitt's method. Secondly, the common effective charges for neutral and ionic structures can be applied for the convenience of calculating the interaction operators, which sometimes produces serious errors in Moffitt's method. Moreover the improvement on the original Heitler-London treatment—corresponding to Wang's or Weinbaum's work for the hydrogen molecule—can be expected. Then, it is discussed how to determine these modified atomic functions in order that the results appertain to the good range in spite of the rather simple calculation. The energy loss of atoms in molecules, induced by the deformation, is corrected, and the interatomic interaction energy is calculated by the use of the approximate functions composed of the orbital functions, where the molecular orbital method can be utilized for saving the difficulty of the higher order permutations. Then the unsatisfactory results, obtained in the calculation of Li2 by utilizing the common effective charges in Moffitt's method, are improved." @default.
- W2068588033 created "2016-06-24" @default.
- W2068588033 creator A5018537406 @default.
- W2068588033 date "1957-03-01" @default.
- W2068588033 modified "2023-09-26" @default.
- W2068588033 title "New Approach to the Quantum-Mechanical Analysis of the Electronic Structures of Molecules. The Method of Deformed Atoms in Molecules" @default.
- W2068588033 cites W1661382485 @default.
- W2068588033 cites W1974955349 @default.
- W2068588033 cites W1977688590 @default.
- W2068588033 cites W1982595496 @default.
- W2068588033 cites W1993377685 @default.
- W2068588033 cites W2047281205 @default.
- W2068588033 cites W2056384421 @default.
- W2068588033 cites W2060501150 @default.
- W2068588033 cites W2063377731 @default.
- W2068588033 cites W2913727500 @default.
- W2068588033 cites W4249812348 @default.
- W2068588033 doi "https://doi.org/10.1063/1.1743324" @default.
- W2068588033 hasPublicationYear "1957" @default.
- W2068588033 type Work @default.
- W2068588033 sameAs 2068588033 @default.
- W2068588033 citedByCount "34" @default.
- W2068588033 countsByYear W20685880332016 @default.
- W2068588033 countsByYear W20685880332020 @default.
- W2068588033 crossrefType "journal-article" @default.
- W2068588033 hasAuthorship W2068588033A5018537406 @default.
- W2068588033 hasConcept C111472728 @default.
- W2068588033 hasConcept C121332964 @default.
- W2068588033 hasConcept C128803854 @default.
- W2068588033 hasConcept C138885662 @default.
- W2068588033 hasConcept C139358910 @default.
- W2068588033 hasConcept C145148216 @default.
- W2068588033 hasConcept C147120987 @default.
- W2068588033 hasConcept C147597530 @default.
- W2068588033 hasConcept C149635348 @default.
- W2068588033 hasConcept C153294291 @default.
- W2068588033 hasConcept C158693339 @default.
- W2068588033 hasConcept C159985019 @default.
- W2068588033 hasConcept C184779094 @default.
- W2068588033 hasConcept C185592680 @default.
- W2068588033 hasConcept C18762648 @default.
- W2068588033 hasConcept C189394030 @default.
- W2068588033 hasConcept C192562407 @default.
- W2068588033 hasConcept C204323151 @default.
- W2068588033 hasConcept C204366326 @default.
- W2068588033 hasConcept C2182769 @default.
- W2068588033 hasConcept C2780586882 @default.
- W2068588033 hasConcept C32909587 @default.
- W2068588033 hasConcept C41008148 @default.
- W2068588033 hasConcept C58312451 @default.
- W2068588033 hasConcept C62520636 @default.
- W2068588033 hasConcept C63385615 @default.
- W2068588033 hasConcept C86025842 @default.
- W2068588033 hasConceptScore W2068588033C111472728 @default.
- W2068588033 hasConceptScore W2068588033C121332964 @default.
- W2068588033 hasConceptScore W2068588033C128803854 @default.
- W2068588033 hasConceptScore W2068588033C138885662 @default.
- W2068588033 hasConceptScore W2068588033C139358910 @default.
- W2068588033 hasConceptScore W2068588033C145148216 @default.
- W2068588033 hasConceptScore W2068588033C147120987 @default.
- W2068588033 hasConceptScore W2068588033C147597530 @default.
- W2068588033 hasConceptScore W2068588033C149635348 @default.
- W2068588033 hasConceptScore W2068588033C153294291 @default.
- W2068588033 hasConceptScore W2068588033C158693339 @default.
- W2068588033 hasConceptScore W2068588033C159985019 @default.
- W2068588033 hasConceptScore W2068588033C184779094 @default.
- W2068588033 hasConceptScore W2068588033C185592680 @default.
- W2068588033 hasConceptScore W2068588033C18762648 @default.
- W2068588033 hasConceptScore W2068588033C189394030 @default.
- W2068588033 hasConceptScore W2068588033C192562407 @default.
- W2068588033 hasConceptScore W2068588033C204323151 @default.
- W2068588033 hasConceptScore W2068588033C204366326 @default.
- W2068588033 hasConceptScore W2068588033C2182769 @default.
- W2068588033 hasConceptScore W2068588033C2780586882 @default.
- W2068588033 hasConceptScore W2068588033C32909587 @default.
- W2068588033 hasConceptScore W2068588033C41008148 @default.
- W2068588033 hasConceptScore W2068588033C58312451 @default.
- W2068588033 hasConceptScore W2068588033C62520636 @default.
- W2068588033 hasConceptScore W2068588033C63385615 @default.
- W2068588033 hasConceptScore W2068588033C86025842 @default.
- W2068588033 hasIssue "3" @default.
- W2068588033 hasLocation W20685880331 @default.
- W2068588033 hasOpenAccess W2068588033 @default.
- W2068588033 hasPrimaryLocation W20685880331 @default.
- W2068588033 hasRelatedWork W1519843623 @default.
- W2068588033 hasRelatedWork W1975248867 @default.
- W2068588033 hasRelatedWork W1977830426 @default.
- W2068588033 hasRelatedWork W1991457338 @default.
- W2068588033 hasRelatedWork W1995870308 @default.
- W2068588033 hasRelatedWork W1996394620 @default.
- W2068588033 hasRelatedWork W2006961695 @default.
- W2068588033 hasRelatedWork W2015978467 @default.
- W2068588033 hasRelatedWork W2045201736 @default.
- W2068588033 hasRelatedWork W2801304703 @default.
- W2068588033 hasVolume "26" @default.
- W2068588033 isParatext "false" @default.
- W2068588033 isRetracted "false" @default.
- W2068588033 magId "2068588033" @default.