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 *

159 related articles for article (PubMed ID: 25028006)

  • 1. 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]  

  • 2. First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance.
    Send R; Furche F
    J Chem Phys; 2010 Jan; 132(4):044107. PubMed ID: 20113019
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. First-order derivative couplings between excited states from adiabatic TDDFT response theory.
    Ou Q; Bellchambers GD; Furche F; Subotnik JE
    J Chem Phys; 2015 Feb; 142(6):064114. PubMed ID: 25681894
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Calculating Derivative Couplings between Time-Dependent Hartree-Fock Excited States with Pseudo-Wavefunctions.
    Alguire EC; Ou Q; Subotnik JE
    J Phys Chem B; 2015 Jun; 119(24):7140-9. PubMed ID: 25148602
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond.
    Tavernelli I; Curchod BF; Laktionov A; Rothlisberger U
    J Chem Phys; 2010 Nov; 133(19):194104. PubMed ID: 21090851
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Derivative Couplings between Time-Dependent Density Functional Theory Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical Intersections.
    Ou Q; Alguire EC; Subotnik JE
    J Phys Chem B; 2015 Jun; 119(24):7150-61. PubMed ID: 25090155
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation.
    Liu J; Liang W
    J Chem Phys; 2011 Jul; 135(1):014113. PubMed ID: 21744894
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Analytic derivative couplings in time-dependent density functional theory: Quadratic response theory versus pseudo-wavefunction approach.
    Zhang X; Herbert JM
    J Chem Phys; 2015 Feb; 142(6):064109. PubMed ID: 25681889
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings.
    Bellonzi N; Alguire E; Fatehi S; Shao Y; Subotnik JE
    J Chem Phys; 2020 Jan; 152(4):044112. PubMed ID: 32007078
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory.
    Zhang X; Herbert JM
    J Chem Phys; 2014 Aug; 141(6):064104. PubMed ID: 25134548
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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]  

  • 15. 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]  

  • 16. 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]  

  • 17. 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]  

  • 18. Second-order nonadiabatic couplings from time-dependent density functional theory: evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections.
    Hu C; Sugino O; Watanabe K
    J Chem Phys; 2011 Aug; 135(7):074101. PubMed ID: 21861550
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional.
    Ziegler T; Krykunov M; Autschbach J
    J Chem Theory Comput; 2014 Sep; 10(9):3980-6. PubMed ID: 26588541
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Carotenoids and light-harvesting: from DFT/MRCI to the Tamm-Dancoff approximation.
    Andreussi O; Knecht S; Marian CM; Kongsted J; Mennucci B
    J Chem Theory Comput; 2015 Feb; 11(2):655-66. PubMed ID: 26579601
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.