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The AGP wavefunction and its relation to other descriptions of electronic structure
Author(s) -
Ortiz J. V.,
Weiner Brian,
Öhrn Yngve
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.560200812
Subject(s) - geminal , propagator , wave function , random phase approximation , ground state , polarization (electrochemistry) , electronic structure , electron , quantum mechanics , physics , quantum electrodynamics , chemistry , atomic physics , stereochemistry
The recent proof that the consistent ground state of polarization propagator in the random phase approximation (RPA) necessarily has the form of an antisymmetrized geminal power (AGP) prompts the reinvestigation of this type of wavefunction. We emphasize the importance of model Hamiltonians and the parallellism between the treatments of the electron propagator and the polarization propagator. An energy optimized (AGP) ground state for LiH is presented in a limited orbital basis.