BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

494 related articles for article (PubMed ID: 19044752)

  • 21. Energy density analysis for second-order Møller-Plesset perturbation theory and coupled-cluster theory with singles and doubles: application to C2H4--CH4 complexes.
    Imamura Y; Nakai H
    J Comput Chem; 2008 Jul; 29(10):1555-63. PubMed ID: 18432621
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Coupled-cluster response theory with linear-r12 corrections: the CC2-R12 model for excitation energies.
    Fliegl H; Hättig C; Klopper W
    J Chem Phys; 2006 Jan; 124(4):044112. PubMed ID: 16460154
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Combining explicitly correlated R12 and Gaussian geminal electronic structure theories.
    Valeev EF
    J Chem Phys; 2006 Dec; 125(24):244106. PubMed ID: 17199339
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states.
    Shiozaki T; Hirao K; Hirata S
    J Chem Phys; 2007 Jun; 126(24):244106. PubMed ID: 17614536
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations.
    Köhn A
    J Chem Phys; 2010 Nov; 133(17):174118. PubMed ID: 21054017
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Implementation of the CCSD(T)-F12 method using cusp conditions.
    Bokhan D; Ten-no S; Noga J
    Phys Chem Chem Phys; 2008 Jun; 10(23):3320-6. PubMed ID: 18535713
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian.
    Piecuch P; Włoch M
    J Chem Phys; 2005 Dec; 123(22):224105. PubMed ID: 16375468
    [TBL] [Abstract][Full Text] [Related]  

  • 28. The subtleties of explicitly correlated Z-averaged perturbation theory: choosing an R12 method for high-spin open-shell molecules.
    Wilke JJ; Schaefer HF
    J Chem Phys; 2009 Dec; 131(24):244116. PubMed ID: 20059063
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Combined coupled-cluster and many-body perturbation theories.
    Hirata S; Fan PD; Auer AA; Nooijen M; Piecuch P
    J Chem Phys; 2004 Dec; 121(24):12197-207. PubMed ID: 15606238
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements.
    Höfener S; Bischoff FA; Glöss A; Klopper W
    Phys Chem Chem Phys; 2008 Jun; 10(23):3390-9. PubMed ID: 18535722
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Explicitly correlated connected triple excitations in coupled-cluster theory.
    Köhn A
    J Chem Phys; 2009 Apr; 130(13):131101. PubMed ID: 19355710
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O; Werner HJ
    Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Extensive generalization of renormalized coupled-cluster methods.
    Kowalski K; Piecuch P
    J Chem Phys; 2005 Feb; 122(7):074107. PubMed ID: 15743221
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Hybrid coupled-cluster and perturbation method for extended systems of one-dimensional periodicity.
    Ohnishi YY; Hirata S
    J Chem Phys; 2011 Sep; 135(9):094108. PubMed ID: 21913754
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg.
    Hill JG; Peterson KA
    Phys Chem Chem Phys; 2010 Sep; 12(35):10460-8. PubMed ID: 20603665
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Third- and fourth-order perturbation corrections to excitation energies from configuration interaction singles.
    Hirata S
    J Chem Phys; 2005 Mar; 122(9):094105. PubMed ID: 15836110
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship.
    Li X; Paldus J
    J Chem Phys; 2008 Apr; 128(14):144118. PubMed ID: 18412434
    [TBL] [Abstract][Full Text] [Related]  

  • 38. A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory.
    Köhn A
    J Chem Phys; 2009 Mar; 130(10):104104. PubMed ID: 19292520
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12.
    Hättig C; Tew DP; Köhn A
    J Chem Phys; 2010 Jun; 132(23):231102. PubMed ID: 20572681
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.
    Huang X; Valeev EF; Lee TJ
    J Chem Phys; 2010 Dec; 133(24):244108. PubMed ID: 21197977
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 25.