Expectation values of single-particle operators in the random phase approximation ground state
classification
⚛️ physics.chem-ph
cond-mat.mes-hall
keywords
approximationphaserandomgroundstatemolecularoperatorssingle-particle
read the original 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.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.