Expectation values of single-particle operators in the random phase approximation ground state

Daniel S. Kosov

doi:10.1063/1.4974985

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arXiv · 1608.06649

Expectation values of single-particle operators in the random phase approximation ground state

Daniel S. Kosov

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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.

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Daniel S. Kosov. 2016-08-23. Expectation values of single-particle operators in the random phase approximation ground state. https://doi.org/10.1063/1.4974985

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