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Journal Abstract Search

234 related items for PubMed ID: 15485275

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  • 5. Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals.
    Shang H, Yang J.
    Front Chem; 2020; 8():589992. PubMed ID: 33240850
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  • 6. Interchain impacts on electronic structures of heterocyclic oligomers and polymers containing group 14, 15, and 16 heteroatoms: quantum chemical calculations in combination with molecular dynamics simulations.
    Zhang G, Ma J, Wen J.
    J Phys Chem B; 2007 Oct 11; 111(40):11670-9. PubMed ID: 17880130
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  • 8. Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theory.
    Zienau J, Clin L, Doser B, Ochsenfeld C.
    J Chem Phys; 2009 May 28; 130(20):204112. PubMed ID: 19485442
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  • 9. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
    Doser B, Lambrecht DS, Kussmann J, Ochsenfeld C.
    J Chem Phys; 2009 Feb 14; 130(6):064107. PubMed ID: 19222267
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  • 12. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC, Li AH, Chao SD.
    J Phys Chem A; 2007 Nov 22; 111(46):11922-9. PubMed ID: 17963367
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  • 13. Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set.
    Marsman M, Grüneis A, Paier J, Kresse G.
    J Chem Phys; 2009 May 14; 130(18):184103. PubMed ID: 19449904
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  • 14. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
    Antony J, Grimme S.
    J Phys Chem A; 2007 Jun 07; 111(22):4862-8. PubMed ID: 17506533
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  • 15. Second-order Møller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties.
    Grüneis A, Marsman M, Kresse G.
    J Chem Phys; 2010 Aug 21; 133(7):074107. PubMed ID: 20726635
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  • 16. Orbital-dependent correlation energy in density-functional theory based on a second-order perturbation approach: success and failure.
    Mori-Sánchez P, Wu Q, Yang W.
    J Chem Phys; 2005 Aug 08; 123(6):62204. PubMed ID: 16122290
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  • 17. Periodic Hartree-Fock and density functional theory calculations for Li-doped polyacetylene chains.
    Ramírez-Solís A, Zicovich-Wilson CM, Kirtman B.
    J Chem Phys; 2006 Jun 28; 124(24):244703. PubMed ID: 16821992
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  • 18. Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller-Plesset perturbation theories.
    Takatsuka A, Ten-No S, Hackbusch W.
    J Chem Phys; 2008 Jul 28; 129(4):044112. PubMed ID: 18681639
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  • 20. On the role of higher-order correlation effects on the induction interactions between closed-shell molecules.
    Korona T.
    Phys Chem Chem Phys; 2007 Dec 07; 9(45):6004-11. PubMed ID: 18004413
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