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 *

170 related articles for article (PubMed ID: 24050330)

  • 1. Natural occupation numbers: when do they vanish?
    Giesbertz KJ; van Leeuwen R
    J Chem Phys; 2013 Sep; 139(10):104109. PubMed ID: 24050330
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Long-range interactions and the sign of natural amplitudes in two-electron systems.
    Giesbertz KJ; van Leeuwen R
    J Chem Phys; 2013 Sep; 139(10):104110. PubMed ID: 24050331
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Exact ionization potentials from wavefunction asymptotics: the extended Koopmans' theorem, revisited.
    Vanfleteren D; Van Neck D; Ayers PW; Morrison RC; Bultinck P
    J Chem Phys; 2009 May; 130(19):194104. PubMed ID: 19466818
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A novel interpretation of reduced density matrix and cumulant for electronic structure theories.
    Kong L; Valeev EF
    J Chem Phys; 2011 Jun; 134(21):214109. PubMed ID: 21663346
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the formulation of a density matrix functional for Van der Waals interaction of like- and opposite-spin electrons in the helium dimer.
    Mentel ŁM; Sheng XW; Gritsenko OV; Baerends EJ
    J Chem Phys; 2012 Nov; 137(20):204117. PubMed ID: 23205991
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems.
    van Meer R; Gritsenko OV; Baerends EJ
    J Chem Phys; 2014 Jan; 140(2):024101. PubMed ID: 24437859
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The extended Koopmans' theorem for orbital-optimized methods: accurate computation of ionization potentials.
    Bozkaya U
    J Chem Phys; 2013 Oct; 139(15):154105. PubMed ID: 24160498
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Off-diagonal derivative discontinuities in the reduced density matrices of electronic systems.
    Cioslowski J
    J Chem Phys; 2020 Oct; 153(15):154108. PubMed ID: 33092376
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Koopmans' theorem in the ROHF method: canonical form for the Hartree-Fock Hamiltonian.
    Plakhutin BN; Gorelik EV; Breslavskaya NN
    J Chem Phys; 2006 Nov; 125(20):204110. PubMed ID: 17144693
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On Koopmans' theorem in density functional theory.
    Tsuneda T; Song JW; Suzuki S; Hirao K
    J Chem Phys; 2010 Nov; 133(17):174101. PubMed ID: 21054000
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Koopmans' theorem for large molecular systems within density functional theory.
    Luo J; Xue ZQ; Liu WM; Wu JL; Yang ZQ
    J Phys Chem A; 2006 Nov; 110(43):12005-9. PubMed ID: 17064189
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The extended Koopmans' theorem: vertical ionization potentials from natural orbital functional theory.
    Piris M; Matxain JM; Lopez X; Ugalde JM
    J Chem Phys; 2012 May; 136(17):174116. PubMed ID: 22583219
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Communication: chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective.
    Matxain JM; Ruipérez F; Infante I; Lopez X; Ugalde JM; Merino G; Piris M
    J Chem Phys; 2013 Apr; 138(15):151102. PubMed ID: 23614404
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems.
    Singh R; Patra B; Patra A; Harbola MK; Samal P
    J Chem Phys; 2019 Nov; 151(20):204104. PubMed ID: 31779332
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The adiabatic approximation in time-dependent density matrix functional theory: response properties from dynamics of phase-including natural orbitals.
    Giesbertz KJ; Gritsenko OV; Baerends EJ
    J Chem Phys; 2010 Nov; 133(17):174119. PubMed ID: 21054018
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Irreducible Brillouin conditions and contracted Schrödinger equations for n-electron systems. III. Systems of noninteracting electrons.
    Kutzelnigg W; Mukherjee D
    J Chem Phys; 2004 Apr; 120(16):7340-9. PubMed ID: 15267644
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Validity of the Extended Koopmans' Theorem.
    Ernzerhof M
    J Chem Theory Comput; 2009 Apr; 5(4):793-7. PubMed ID: 26609585
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: non-uniqueness of density-derived molecular structure.
    Ludeña EV; Echevarría L; Lopez X; Ugalde JM
    J Chem Phys; 2012 Feb; 136(8):084103. PubMed ID: 22380028
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 9.