273 related articles for article (PubMed ID: 15974730)
1. Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers.
Misquitta AJ; Szalewicz K
J Chem Phys; 2005 Jun; 122(21):214109. PubMed ID: 15974730
[TBL] [Abstract][Full Text] [Related]
2. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations.
Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K
J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035
[TBL] [Abstract][Full Text] [Related]
3. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers.
Podeszwa R; Szalewicz K
J Chem Phys; 2007 May; 126(19):194101. PubMed ID: 17523792
[TBL] [Abstract][Full Text] [Related]
4. Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes.
Zuchowski PS; Podeszwa R; Moszyński R; Jeziorski B; Szalewicz K
J Chem Phys; 2008 Aug; 129(8):084101. PubMed ID: 19044812
[TBL] [Abstract][Full Text] [Related]
5. Symmetry-adapted perturbation theory with Kohn-Sham orbitals using non-empirically tuned, long-range-corrected density functionals.
Lao KU; Herbert JM
J Chem Phys; 2014 Jan; 140(4):044108. PubMed ID: 25669506
[TBL] [Abstract][Full Text] [Related]
6. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies.
Hesselmann A; Jansen G; Schütz M
J Chem Phys; 2005 Jan; 122(1):14103. PubMed ID: 15638638
[TBL] [Abstract][Full Text] [Related]
7. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.
Tekin A; Jansen G
Phys Chem Chem Phys; 2007 Apr; 9(14):1680-7. PubMed ID: 17396179
[TBL] [Abstract][Full Text] [Related]
8. Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers.
Bukowski R; Szalewicz K; Groenenboom G; van der Avoird A
J Chem Phys; 2006 Jul; 125(4):44301. PubMed ID: 16942136
[TBL] [Abstract][Full Text] [Related]
9. Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory.
Hohenstein EG; Sherrill CD
J Chem Phys; 2010 Jul; 133(1):014101. PubMed ID: 20614953
[TBL] [Abstract][Full Text] [Related]
10. Third-order interactions in symmetry-adapted perturbation theory.
Patkowski K; Szalewicz K; Jeziorski B
J Chem Phys; 2006 Oct; 125(15):154107. PubMed ID: 17059239
[TBL] [Abstract][Full Text] [Related]
11. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.
Lao KU; Schäffer R; Jansen G; Herbert JM
J Chem Theory Comput; 2015 Jun; 11(6):2473-86. PubMed ID: 26575547
[TBL] [Abstract][Full Text] [Related]
12. Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory.
Hesselmann A
J Chem Phys; 2008 Apr; 128(14):144112. PubMed ID: 18412428
[TBL] [Abstract][Full Text] [Related]
13. DFT-SAPT Intermolecular Interaction Energies Employing Exact-Exchange Kohn-Sham Response Methods.
Heßelmann A
J Chem Theory Comput; 2018 Apr; 14(4):1943-1959. PubMed ID: 29566325
[TBL] [Abstract][Full Text] [Related]
14. An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) method.
Lao KU; Herbert JM
J Chem Phys; 2013 Jul; 139(3):034107. PubMed ID: 23883010
[TBL] [Abstract][Full Text] [Related]
15. 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; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
16. Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials.
Li X; Volkov AV; Szalewicz K; Coppens P
Acta Crystallogr D Biol Crystallogr; 2006 Jun; 62(Pt 6):639-47. PubMed ID: 16699191
[TBL] [Abstract][Full Text] [Related]
17. Frozen core and effective core potentials in symmetry-adapted perturbation theory.
Patkowski K; Szalewicz K
J Chem Phys; 2007 Oct; 127(16):164103. PubMed ID: 17979315
[TBL] [Abstract][Full Text] [Related]
18. Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes.
Hapka M; Żuchowski PS; Szczęśniak MM; Chałasiński G
J Chem Phys; 2012 Oct; 137(16):164104. PubMed ID: 23126692
[TBL] [Abstract][Full Text] [Related]
19. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory.
Podeszwa R; Bukowski R; Rice BM; Szalewicz K
Phys Chem Chem Phys; 2007 Nov; 9(41):5561-9. PubMed ID: 17957312
[TBL] [Abstract][Full Text] [Related]
20. Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion.
Patkowski K; Jeziorski B; Szalewicz K
J Chem Phys; 2004 Apr; 120(15):6849-62. PubMed ID: 15267584
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]