Expectation values of single-particle operators in the random phase approximation ground state
arXiv:1608.06649 · doi:10.1063/1.4974985
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.
Accepted to J.Chem.Phys
References in corpus (3)
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