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Interatomic forces and Compton profiles
Author(s) -
Thakkar Ajit J.
Publication year - 1983
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560230121
Subject(s) - virial theorem , impulse (physics) , physics , scaling , polyatomic ion , compton scattering , atomic physics , molecule , quantum mechanics , scattering , mathematics , geometry , galaxy
The virial theorem is used to derive rigorous relationships between the nuclear framework dependence of the impulse approximation Compton profile of a polyatomic molecule and its Born–Oppenheimer potential energy surface along a uniform scaling path. The interatomic energy‐ and force‐related difference Compton profiles for H 2 are examined as an illustration.