Second-order Møller–Plesset perturbation (MP2) theory at finite temperature: relation with Surján’s density matrix MP2 and its application to linear-scaling divide-and-conquer method

Second-order Moller-Plesset perturbation (MP2) theory at finite temperature: relation with Surjan's density matrix MP2 and its application to linear-scaling divide-and-conquer method

QCD perturbation theory at finite temperature/density and its application

In order to describe properties of an equilibrated quark-gluon plasma, QCD at finite temperature (and density) has to be considered. Besides lattice calculations, which can be applied only to static quantities at zero density, perturbative QCD has been used. At finite temperature, however, serious problems such as infrared divergent and gauge dependent results have been encountered. These diffi...

MP2[V]--A Simple Approximation to Second-Order Møller-Plesset Perturbation Theory.

We propose a simplified variant of the dual-basis MP2[K] scheme [ J. Chem. Phys. 2011, 134, 081103] that bootstraps a small-basis MP2 result to a large-basis one. This simplified method, which we call MP2[V], assumes the occupied orbitals are adequately described by the smaller basis, and, therefore, only the relaxation of the virtual orbitals is considered when shifting to the larger basis. Nu...

perturbation theory at nite temperature / density and its application

In order to describe properties of an equilibrated quark-gluon plasma, QCD at nite temperature (and density) has to be considered. Besides lattice calculations, which can be applied only to static quantities at zero density, perturbative QCD has been used. At nite temperature, however, serious problems such as infrared divergent and gauge dependent results have been encountered. These di cultie...

Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYP Density-Functional Theory (DFT) and ab Initio Second Order Møller-Plesset Perturbation Theory (MP2) Calculations

Center for Drug DiscoVery & Design, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, 294 Taiyuan Road, Shanghai 200031, P. R. China, Chemical Process & Biotechnology Department, Singapore Polytechnic, 500 DoVer Road, Singapore 139651, Department of Neurobiology, Weizmann Institute of Science, 7...