Expectation values of single-particle operators in the random phase approximation ground state
Journal Publication ResearchOnline@JCUKosov, D.S.
Abstract
We developed a method for computing matrix elements of single-particle operators in the correlated random phase approximation ground state. Working with the explicit random phase approximation ground state wavefunction, we derived a practically useful and simple expression for a molecular property in terms of random phase approximation amplitudes. The theory is illustrated by the calcula- tion of molecular dipole moments for a set of representative molecules.
Journal
Journal of Chemical Physics
Publication Name
N/A
Volume
146
ISBN/ISSN
1089-7690
Edition
N/A
Issue
N/A
Pages Count
4
Location
N/A
Publisher
American Institute of Physics
Publisher Url
N/A
Publisher Location
N/A
Publish Date
N/A
Url
N/A
Date
N/A
EISSN
N/A
DOI
10.1063/1.4974985