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 *

422 related articles for article (PubMed ID: 21384958)

  • 1. Dynamical mean-field theory from a quantum chemical perspective.
    Zgid D; Chan GK
    J Chem Phys; 2011 Mar; 134(9):094115. PubMed ID: 21384958
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory.
    Zhu T; Cui ZH; Chan GK
    J Chem Theory Comput; 2020 Jan; 16(1):141-153. PubMed ID: 31815457
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Fast multi-orbital equation of motion impurity solver for dynamical mean field theory.
    Feng Q; Oppeneer PM
    J Phys Condens Matter; 2011 Oct; 23(42):425601. PubMed ID: 21970899
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dynamical screening effects in correlated electron materials-a progress report on combined many-body perturbation and dynamical mean field theory: 'GW + DMFT'.
    Biermann S
    J Phys Condens Matter; 2014 Apr; 26(17):173202. PubMed ID: 24722486
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structural and dynamical properties of hydrogen fluoride in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics simulation.
    Kritayakornupong C; Vchirawongkwin V; Hofer TS; Rode BM
    J Phys Chem B; 2008 Sep; 112(38):12032-7. PubMed ID: 18729507
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Restoring translational symmetry in periodic all-orbital dynamical mean-field theory simulations.
    Li J; Zhu T
    Faraday Discuss; 2024 Nov; 254(0):641-652. PubMed ID: 39076013
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ab-initio simulations of materials using VASP: Density-functional theory and beyond.
    Hafner J
    J Comput Chem; 2008 Oct; 29(13):2044-78. PubMed ID: 18623101
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate theoretical chemistry with coupled pair models.
    Neese F; Hansen A; Wennmohs F; Grimme S
    Acc Chem Res; 2009 May; 42(5):641-8. PubMed ID: 19296607
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Effect of additional hydrogen peroxide to H2O2...(H2O)n, n=1 and 2 complexes: quantum chemical study.
    Kulkarni AD; Pathak RK; Bartolotti LJ
    J Chem Phys; 2006 Jun; 124(21):214309. PubMed ID: 16774409
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Nonadiabatic electron wavepacket dynamics of molecules in an intense optical field: an ab initio electronic state study.
    Yonehara T; Takatsuka K
    J Chem Phys; 2008 Apr; 128(15):154104. PubMed ID: 18433187
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Bandstructure meets many-body theory: the LDA+DMFT method.
    Held K; Andersen OK; Feldbacher M; Yamasaki A; Yang YF
    J Phys Condens Matter; 2008 Feb; 20(6):064202. PubMed ID: 21693864
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Quasi-continuous-time impurity solver for the dynamical mean-field theory with linear scaling in the inverse temperature.
    Rost D; Assaad F; Blümer N
    Phys Rev E Stat Nonlin Soft Matter Phys; 2013 May; 87(5):053305. PubMed ID: 23767655
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Visualizing electron correlation by means of ab initio scanning tunneling spectroscopy images of single molecules.
    Toroz D; Rontani M; Corni S
    J Chem Phys; 2011 Jan; 134(2):024104. PubMed ID: 21241077
    [TBL] [Abstract][Full Text] [Related]  

  • 14. [Dynamic paradigm in psychopathology: "chaos theory", from physics to psychiatry].
    Pezard L; Nandrino JL
    Encephale; 2001; 27(3):260-8. PubMed ID: 11488256
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Implementation of dynamical nucleation theory with quantum potentials.
    Crosby LD; Kathmann SM; Windus TL
    J Comput Chem; 2009 Apr; 30(5):743-9. PubMed ID: 18711716
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A DFT + DMFT approach for nanosystems.
    Turkowski V; Kabir A; Nayyar N; Rahman TS
    J Phys Condens Matter; 2010 Nov; 22(46):462202. PubMed ID: 21403361
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.
    Sumner I; Iyengar SS
    J Phys Chem A; 2007 Oct; 111(41):10313-24. PubMed ID: 17894476
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory.
    Sumner I; Iyengar SS
    J Chem Phys; 2008 Aug; 129(5):054109. PubMed ID: 18698890
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Structures, energetics, and vibrational spectra of H2O2...(H2O)n, n = 1-6 clusters: Ab initio quantum chemical investigations.
    Kulkarni AD; Pathak RK; Bartolotti LJ
    J Phys Chem A; 2005 May; 109(20):4583-90. PubMed ID: 16833795
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 22.