These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

361 related articles for article (PubMed ID: 18397051)

  • 1. Auxiliary density perturbation theory.
    Flores-Moreno R; Köster AM
    J Chem Phys; 2008 Apr; 128(13):134105. PubMed ID: 18397051
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed Kohn-Sham method: case study of the polarizabilities of disubstituted azoarene molecules.
    Shedge SV; Carmona-Espíndola J; Pal S; Köster AM
    J Phys Chem A; 2010 Feb; 114(6):2357-64. PubMed ID: 20088563
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Time-dependent auxiliary density perturbation theory.
    Carmona-Espíndola J; Flores-Moreno R; Köster AM
    J Chem Phys; 2010 Aug; 133(8):084102. PubMed ID: 20815555
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Variational, V-representable, and variable-occupation-number perturbation theories.
    Dunlap BI
    J Chem Phys; 2008 Dec; 129(24):244109. PubMed ID: 19123497
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets.
    Thorvaldsen AJ; Ruud K; Kristensen K; Jørgensen P; Coriani S
    J Chem Phys; 2008 Dec; 129(21):214108. PubMed ID: 19063545
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory.
    Belpassi L; Tarantelli F; Sgamellotti A; Quiney HM
    J Chem Phys; 2008 Mar; 128(12):124108. PubMed ID: 18376909
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Calculation of exchange-correlation potentials with auxiliary function densities.
    Köster AM; Reveles JU; del Campo JM
    J Chem Phys; 2004 Aug; 121(8):3417-24. PubMed ID: 15303904
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Electron density fitting for the Coulomb problem in relativistic density-functional theory.
    Belpassi L; Tarantelli F; Sgamellotti A; Quiney HM
    J Chem Phys; 2006 Mar; 124(12):124104. PubMed ID: 16599659
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Coupled-perturbed density-matrix functional theory equations. Application to static polarizabilities.
    Pernal K; Baerends EJ
    J Chem Phys; 2006 Jan; 124(1):14102. PubMed ID: 16409019
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Self-consistent, constrained linear-combination-of-atomic-potentials approach to quantum mechanics.
    Dunlap BI; Schweigert IV
    J Chem Phys; 2011 Jan; 134(4):044122. PubMed ID: 21280702
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels.
    Kussmann J; Ochsenfeld C
    J Chem Phys; 2007 Nov; 127(20):204103. PubMed ID: 18052415
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Analytic second derivatives from auxiliary density perturbation theory.
    Delgado-Venegas RI; Mejía-Rodríguez D; Flores-Moreno R; Calaminici P; Köster AM
    J Chem Phys; 2016 Dec; 145(22):224103. PubMed ID: 27984884
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation.
    Bleiziffer P; Hesselmann A; Görling A
    J Chem Phys; 2012 Apr; 136(13):134102. PubMed ID: 22482535
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Noniterative density functional response approach: application to nonlinear optical properties of p-nitroaniline and its methyl-substituted derivatives.
    Sophy KB; Shedge SV; Pal S
    J Phys Chem A; 2008 Nov; 112(44):11266-72. PubMed ID: 18844334
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Grid-free density functional calculations on periodic systems.
    Varga S
    J Chem Phys; 2007 Sep; 127(11):114108. PubMed ID: 17887829
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density-functional theory with effective potential expressed as a direct mapping of the external potential: applications to atomization energies and ionization potentials.
    Glushkov VN; Fesenko SI
    J Chem Phys; 2006 Dec; 125(23):234111. PubMed ID: 17190551
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods.
    Janetzko F; Köster AM; Salahub DR
    J Chem Phys; 2008 Jan; 128(2):024102. PubMed ID: 18205438
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Efficient treatment of the Hartree interaction in the relativistic Kohn-Sham problem.
    Matveev AV; Majumder S; Rösch N
    J Chem Phys; 2005 Oct; 123(16):164104. PubMed ID: 16268678
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Turbo charging time-dependent density-functional theory with Lanczos chains.
    Rocca D; Gebauer R; Saad Y; Baroni S
    J Chem Phys; 2008 Apr; 128(15):154105. PubMed ID: 18433188
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 19.