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 *

176 related articles for article (PubMed ID: 25554131)

  • 1. First order nonadiabatic coupling matrix elements between excited states: implementation and application at the TD-DFT and pp-TDA levels.
    Li Z; Suo B; Liu W
    J Chem Phys; 2014 Dec; 141(24):244105. PubMed ID: 25554131
    [TBL] [Abstract][Full Text] [Related]  

  • 2. First-order nonadiabatic coupling matrix elements between excited states: a Lagrangian formulation at the CIS, RPA, TD-HF, and TD-DFT levels.
    Li Z; Liu W
    J Chem Phys; 2014 Jul; 141(1):014110. PubMed ID: 25005280
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions.
    Li Z; Liu W
    J Chem Theory Comput; 2016 Jun; 12(6):2517-27. PubMed ID: 27159167
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. NAC-TDDFT: Time-Dependent Density Functional Theory for Nonadiabatic Couplings.
    Wang Z; Wu C; Liu W
    Acc Chem Res; 2021 Sep; 54(17):3288-3297. PubMed ID: 34448566
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Analytical approach for the excited-state Hessian in time-dependent density functional theory: formalism, implementation, and performance.
    Liu J; Liang W
    J Chem Phys; 2011 Nov; 135(18):184111. PubMed ID: 22088056
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11.
    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]  

  • 12. 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]  

  • 13. Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation.
    Li Z; Liu W
    J Chem Phys; 2011 Nov; 135(19):194106. PubMed ID: 22112065
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [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. A time-dependent density-functional approach to nonadiabatic electron-nucleus dynamics: formulation and photochemical application.
    Hirai H; Sugino O
    Phys Chem Chem Phys; 2009 Jun; 11(22):4570-8. PubMed ID: 19475177
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules.
    Grimme S
    J Chem Phys; 2013 Jun; 138(24):244104. PubMed ID: 23822224
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Excited states with internally contracted multireference coupled-cluster linear response theory.
    Samanta PK; Mukherjee D; Hanauer M; Köhn A
    J Chem Phys; 2014 Apr; 140(13):134108. PubMed ID: 24712781
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 9.