Literature DB >> 17166013

Theoretical interpretation of Grimme's spin-component-scaled second order Møller-Plesset theory.

Agnes Szabados1.   

Abstract

It is shown that spin-component-scaled second order Møller-Plesset theory proposed by Grimme [J. Chem. Phys. 118, 9095 (2003)] can be interpreted as a two-parameter scaling of the zero order Hamiltonian, a generalization of the approach reported by Feenberg [Phys. Rev. 103, 1116 (1956)].

Year:  2006        PMID: 17166013     DOI: 10.1063/1.2404660

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive Benchmark.

Authors:  Golokesh Santra; Jan M L Martin
Journal:  J Phys Chem Lett       Date:  2022-04-13       Impact factor: 6.475

2.  Performance of Møller-Plesset second-order perturbation theory and density functional theory in predicting the interaction between stannylenes and aromatic molecules.

Authors:  Piotr Matczak; Sławomir Wojtulewski
Journal:  J Mol Model       Date:  2015-02-13       Impact factor: 1.810

3.  Ultraslow isomerization in photoexcited gas-phase carbon cluster [Formula: see text].

Authors:  K Saha; V Chandrasekaran; O Heber; M A Iron; M L Rappaport; D Zajfman
Journal:  Nat Commun       Date:  2018-03-02       Impact factor: 14.919

4.  Assessment of the Second-Order Statically Screened Exchange Correction to the Random Phase Approximation for Correlation Energies.

Authors:  Arno Förster
Journal:  J Chem Theory Comput       Date:  2022-09-23       Impact factor: 6.578

  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.