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Paper detail

Equivalence of Particle-Particle Random Phase Approximation Correlation Energy and Ladder-Coupled-Cluster-Double

We present an analytical proof and numerical demonstrations of the equivalence of the correlation energy from particle-particle random phase approximation (pp-RPA) and ladder-couple-cluster-doubles (ladder-CCD). These two theories reduce to the identical algebraic matrix equation and correlation energy expressions, under the assumption that the pp-RPA equation is stable. The numerical examples illustrate that the correlation energy missed by pp-RPA in comparison with couple-cluster single and double is largely canceled out when considering reaction energies. This theoretical connection will be beneficial to future pp-RPA studies based on the well established couple cluster theory.

preprint2013arXivOpen access
Degao PengStephan N. SteinmannHelen van AggelenWeitao Yang
physics.chem-ph
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Degao PengStephan N. SteinmannHelen van AggelenWeitao Yang

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