BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

243 related articles for article (PubMed ID: 26270707)

  • 1. Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections.
    Li SL; Marenich AV; Xu X; Truhlar DG
    J Phys Chem Lett; 2014 Jan; 5(2):322-8. PubMed ID: 26270707
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation.
    Isegawa M; Truhlar DG
    J Chem Phys; 2013 Apr; 138(13):134111. PubMed ID: 23574212
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms.
    Xu X; Yang KR; Truhlar DG
    J Chem Theory Comput; 2014 May; 10(5):2070-84. PubMed ID: 26580534
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dual-Functional Tamm-Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S
    Shu Y; Parker KA; Truhlar DG
    J Phys Chem Lett; 2017 May; 8(10):2107-2112. PubMed ID: 28418680
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dual-Functional Tamm-Dancoff Approximation with Self-Interaction-Free Orbitals: Vertical Excitation Energies and Potential Energy Surfaces near an Intersection Seam.
    Shu Y; Parker KA; Truhlar DG
    J Phys Chem A; 2017 Dec; 121(51):9728-9735. PubMed ID: 29200293
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Performance of Tamm-Dancoff approximation on nonadiabatic couplings by time-dependent density functional theory.
    Hu C; Sugino O; Watanabe K
    J Chem Phys; 2014 Feb; 140(5):054106. PubMed ID: 24511921
    [TBL] [Abstract][Full Text] [Related]  

  • 7.
    Yu JK; Bannwarth C; Hohenstein EG; Martínez TJ
    J Chem Theory Comput; 2020 Sep; 16(9):5499-5511. PubMed ID: 32786902
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A Fermi smearing variant of the Tamm-Dancoff approximation for nonadiabatic dynamics involving S
    Peters LDM; Kussmann J; Ochsenfeld C
    J Chem Phys; 2020 Sep; 153(9):094104. PubMed ID: 32891109
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm-Dancoff approximation.
    König C; Schlüter N; Neugebauer J
    J Chem Phys; 2013 Jan; 138(3):034104. PubMed ID: 23343265
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations.
    Yang Y; Shen L; Zhang D; Yang W
    J Phys Chem Lett; 2016 Jul; 7(13):2407-11. PubMed ID: 27293013
    [TBL] [Abstract][Full Text] [Related]  

  • 11. On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory.
    Taylor JT; Tozer DJ; Curchod BFE
    J Phys Chem A; 2024 Jun; ():. PubMed ID: 38919046
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane.
    Huix-Rotllant M; Natarajan B; Ipatov A; Wawire CM; Deutsch T; Casida ME
    Phys Chem Chem Phys; 2010 Oct; 12(39):12811-25. PubMed ID: 20820556
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hole-hole Tamm-Dancoff-approximated density functional theory: A highly efficient electronic structure method incorporating dynamic and static correlation.
    Bannwarth C; Yu JK; Hohenstein EG; Martínez TJ
    J Chem Phys; 2020 Jul; 153(2):024110. PubMed ID: 32668944
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation.
    Ou Q; Fatehi S; Alguire E; Shao Y; Subotnik JE
    J Chem Phys; 2014 Jul; 141(2):024114. PubMed ID: 25028006
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximation.
    Kühn M; Weigend F
    J Chem Phys; 2015 Jan; 142(3):034116. PubMed ID: 25612698
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry.
    Tapavicza E; Tavernelli I; Rothlisberger U; Filippi C; Casida ME
    J Chem Phys; 2008 Sep; 129(12):124108. PubMed ID: 19045007
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Is the Tamm-Dancoff Approximation Reliable for the Calculation of Absorption and Fluorescence Band Shapes?
    Chantzis A; Laurent AD; Adamo C; Jacquemin D
    J Chem Theory Comput; 2013 Oct; 9(10):4517-25. PubMed ID: 26589168
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules.
    Cao Y; Hughes T; Giesen D; Halls MD; Goldberg A; Vadicherla TR; Sastry M; Patel B; Sherman W; Weisman AL; Friesner RA
    J Comput Chem; 2016 Jun; 37(16):1425-41. PubMed ID: 27013141
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Combined Self-Consistent-Field and Spin-Flip Tamm-Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry.
    Xu X; Gozem S; Olivucci M; Truhlar DG
    J Phys Chem Lett; 2013 Jan; 4(2):253-8. PubMed ID: 26283430
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization.
    Petrenko T; Kossmann S; Neese F
    J Chem Phys; 2011 Feb; 134(5):054116. PubMed ID: 21303101
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.