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 *

364 related articles for article (PubMed ID: 24329054)

  • 1. Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation.
    Yang Y; van Aggelen H; Yang W
    J Chem Phys; 2013 Dec; 139(22):224105. PubMed ID: 24329054
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies.
    Yang Y; Peng D; Lu J; Yang W
    J Chem Phys; 2014 Sep; 141(12):124104. PubMed ID: 25273409
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations.
    Peng D; Yang Y; Zhang P; Yang W
    J Chem Phys; 2014 Dec; 141(21):214102. PubMed ID: 25481124
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Charge transfer excitations from particle-particle random phase approximation-Opportunities and challenges arising from two-electron deficient systems.
    Yang Y; Dominguez A; Zhang D; Lutsker V; Niehaus TA; Frauenheim T; Yang W
    J Chem Phys; 2017 Mar; 146(12):124104. PubMed ID: 28388105
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation.
    van Aggelen H; Yang Y; Yang W
    J Chem Phys; 2014 May; 140(18):18A511. PubMed ID: 24832319
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Singlet-triplet energy gaps for diradicals from particle-particle random phase approximation.
    Yang Y; Peng D; Davidson ER; Yang W
    J Phys Chem A; 2015 May; 119(20):4923-32. PubMed ID: 25891638
    [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. Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies.
    Maier TM; Bahmann H; Arbuznikov AV; Kaupp M
    J Chem Phys; 2016 Feb; 144(7):074106. PubMed ID: 26896975
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Response calculations based on an independent particle system with the exact one-particle density matrix: excitation energies.
    Giesbertz KJ; Gritsenko OV; Baerends EJ
    J Chem Phys; 2012 Mar; 136(9):094104. PubMed ID: 22401426
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation.
    Zhang D; Peng D; Zhang P; Yang W
    Phys Chem Chem Phys; 2015 Jan; 17(2):1025-38. PubMed ID: 25410624
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Benchmark tests and spin adaptation for the particle-particle random phase approximation.
    Yang Y; van Aggelen H; Steinmann SN; Peng D; Yang W
    J Chem Phys; 2013 Nov; 139(17):174110. PubMed ID: 24206290
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT.
    Yang K; Peverati R; Truhlar DG; Valero R
    J Chem Phys; 2011 Jul; 135(4):044118. PubMed ID: 21806101
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. Charge transfer excitation energies from ground state density functional theory calculations.
    Mei Y; Yang W
    J Chem Phys; 2019 Apr; 150(14):144109. PubMed ID: 30981264
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Combining localized orbital scaling correction and Bethe-Salpeter equation for accurate excitation energies.
    Li J; Jin Y; Su NQ; Yang W
    J Chem Phys; 2022 Apr; 156(15):154101. PubMed ID: 35459294
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles.
    Peng D; Steinmann SN; van Aggelen H; Yang W
    J Chem Phys; 2013 Sep; 139(10):104112. PubMed ID: 24050333
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations.
    Gritsenko O; Baerends EJ
    J Chem Phys; 2004 Jul; 121(2):655-60. PubMed ID: 15260591
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 19.