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Calculation of properties with the coupled‐cluster method
Author(s) -
Monkhorst Hendrik J.
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.560120850
Subject(s) - coupled cluster , cluster (spacecraft) , computational chemistry , statistical physics , chemistry , physics , computer science , quantum mechanics , molecule , programming language
The cluster‐expansion approach to the correlation problem, pioneered by Cocster, Kümmel, Cizek and Paldus, is extended to calculation of static and dynamic properties of many‐fermion systems. Linear, inhomogeneous equations are obtained for properties of any order. A time‐dependent formulation gives frequency‐dependent properties, yielding excitation energies, transition probabilities, and (possibly) life times reminiscent of Green's function methods.