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Upper and lower bounds to polarizabilities and van der Waals forces I. General theory
Author(s) -
Goscinski Osvaldo
Publication year - 1968
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.560020604
Subject(s) - van der waals force , range (aeronautics) , london dispersion force , upper and lower bounds , operator (biology) , dispersion (optics) , mathematics , molecule , statistical physics , quantum mechanics , physics , chemistry , mathematical analysis , materials science , biochemistry , repressor , transcription factor , composite material , gene
Upper and lower bounds to polarizabilities, and long‐range interactions of atoms and molecules are derived using operator inequalities. The formulae for the dispersion and the three‐body non‐additive forces are given in terms of the S ( k ), related by sum rules to properties of the separated systems. Some known approximations are obtained but with additional information about their nature, as well as several new inequalities. Their interest is that they give explicit and rigorous bounds involving quantities available from experimental data.