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Integrated and integral hellmann‐feynman formulae II. Construction of super‐floating functions
Author(s) -
Hurley A. C.
Publication year - 2009
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.560010674
Subject(s) - integral equation , fredholm integral equation , simple (philosophy) , homogeneous , mathematics , line integral , daniell integral , mathematical analysis , feynman diagram , feynman integral , riemann integral , integral transform , mathematical physics , fourier integral operator , philosophy , epistemology , combinatorics
The construction of electronic wave functions which satisfy the integrated and integral Hellmann–Feynman theorems is considered. Functions which satisfy the integral theorem (superfloating functions) are obtained as solutions of a linear homogeneous integral equation which is closely related to the Fredholm equation. An explicit analytic solution of this integral equation is derived for a simple model system.