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 *

163 related articles for article (PubMed ID: 20095721)

  • 1. Communications: Accurate description of atoms and molecules by natural orbital functional theory.
    Piris M; Matxain JM; Lopez X; Ugalde JM
    J Chem Phys; 2010 Jan; 132(3):031103. PubMed ID: 20095721
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Spin conserving natural orbital functional theory.
    Piris M; Matxain JM; Lopez X; Ugalde JM
    J Chem Phys; 2009 Jul; 131(2):021102. PubMed ID: 19603963
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Communication: The role of the positivity N-representability conditions in natural orbital functional theory.
    Piris M; Matxain JM; Lopez X; Ugalde JM
    J Chem Phys; 2010 Sep; 133(11):111101. PubMed ID: 20866116
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dispersion interactions within the Piris natural orbital functional theory: the helium dimer.
    Piris M; Lopez X; Ugalde JM
    J Chem Phys; 2007 Jun; 126(21):214103. PubMed ID: 17567186
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A natural orbital functional for multiconfigurational states.
    Piris M; Lopez X; Ruipérez F; Matxain JM; Ugalde JM
    J Chem Phys; 2011 Apr; 134(16):164102. PubMed ID: 21528945
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Assessment of a new approach for the two-electron cumulant in natural-orbital-functional theory.
    Leiva P; Piris M
    J Chem Phys; 2005 Dec; 123(21):214102. PubMed ID: 16356034
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Correlation holes for the helium dimer.
    Piris M; Lopez X; Ugalde JM
    J Chem Phys; 2008 Apr; 128(13):134102. PubMed ID: 18397048
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM; De Proft F; Tozer DJ
    J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Perturbation theory corrections to the two-particle reduced density matrix variational method.
    Juhasz T; Mazziotti DA
    J Chem Phys; 2004 Jul; 121(3):1201-5. PubMed ID: 15260661
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Homolytic molecular dissociation in natural orbital functional theory.
    Matxain JM; Piris M; Ruipérez F; Lopez X; Ugalde JM
    Phys Chem Chem Phys; 2011 Dec; 13(45):20129-35. PubMed ID: 21904734
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate energetics of small molecules containing third-row atoms Ga-Kr: a comparison of advanced ab initio and density functional theory.
    Yockel S; Mintz B; Wilson AK
    J Chem Phys; 2004 Jul; 121(1):60-77. PubMed ID: 15260523
    [TBL] [Abstract][Full Text] [Related]  

  • 12. New relativistic ANO basis sets for transition metal atoms.
    Roos BO; Lindh R; Malmqvist PA; Veryazov V; Widmark PO
    J Phys Chem A; 2005 Jul; 109(29):6575-9. PubMed ID: 16834004
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix.
    Greenman L; Mazziotti DA
    J Chem Phys; 2008 Mar; 128(11):114109. PubMed ID: 18361556
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Natural orbital functional for spin-polarized periodic systems.
    Quintero-Monsebaiz R; Mitxelena I; Rodríguez-Mayorga M; Vela A; Piris M
    J Phys Condens Matter; 2019 Apr; 31(16):165501. PubMed ID: 30673638
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Global Natural Orbital Functional: Towards the Complete Description of the Electron Correlation.
    Piris M
    Phys Rev Lett; 2021 Dec; 127(23):233001. PubMed ID: 34936779
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The spin-unrestricted molecular Kohn-Sham solution and the analogue of Koopmans's theorem for open-shell molecules.
    Gritsenko OV; Baerends EJ
    J Chem Phys; 2004 May; 120(18):8364-72. PubMed ID: 15267759
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG; Peterson KA; Knizia G; Werner HJ
    J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR; Dunlap BI
    J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Spin-state splittings, highest-occupied-molecular-orbital and lowest-unoccupied-molecular-orbital energies, and chemical hardness.
    Johnson ER; Yang W; Davidson ER
    J Chem Phys; 2010 Oct; 133(16):164107. PubMed ID: 21033775
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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; 123(6):62204. PubMed ID: 16122290
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.