Expectation values of single-particle operators in the random phase approximation ground state
Chemical Physics
2017-02-09 v2 Mesoscale and Nanoscale Physics
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 practically useful and simple expression for a molecular property in terms of random phase approximation amplitudes. The theory is illustrated by the calculation of molecular dipole moments for a set of representative molecules.
Keywords
Cite
@article{arxiv.1608.06649,
title = {Expectation values of single-particle operators in the random phase approximation ground state},
author = {Daniel S. Kosov},
journal= {arXiv preprint arXiv:1608.06649},
year = {2017}
}
Comments
Accepted to J.Chem.Phys