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 *

123 related articles for article (PubMed ID: 37966004)

  • 1. Chemically accurate singlet-triplet gaps of organic chromophores and linear acenes by the random phase approximation and σ-functionals.
    Dhingra D; Shori A; Förster A
    J Chem Phys; 2023 Nov; 159(19):. PubMed ID: 37966004
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels.
    Lemke Y; Ochsenfeld C
    J Chem Phys; 2023 Nov; 159(19):. PubMed ID: 37966000
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues.
    Fauser S; Trushin E; Neiss C; Görling A
    J Chem Phys; 2021 Oct; 155(13):134111. PubMed ID: 34624971
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy.
    Trushin E; Thierbach A; Görling A
    J Chem Phys; 2021 Jan; 154(1):014104. PubMed ID: 33412877
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Scaled σ-functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas.
    Erhard J; Fauser S; Trushin E; Görling A
    J Chem Phys; 2022 Sep; 157(11):114105. PubMed ID: 36137780
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Robust and accurate hybrid random-phase-approximation methods.
    Thierbach A; Schmidtel D; Görling A
    J Chem Phys; 2019 Oct; 151(14):144117. PubMed ID: 31615260
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Benchmarking DFT Functionals for Excited-State Calculations of Donor-Acceptor TADF Emitters: Insights on the Key Parameters Determining Reverse Inter-System Crossing.
    Hall D; Sancho-García JC; Pershin A; Beljonne D; Zysman-Colman E; Olivier Y
    J Phys Chem A; 2023 Jun; 127(21):4743-4757. PubMed ID: 37196185
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernel.
    Bleiziffer P; Krug M; Görling A
    J Chem Phys; 2015 Jun; 142(24):244108. PubMed ID: 26133411
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Do any types of double-hybrid models render the correct order of excited state energies in inverted singlet-triplet emitters?
    Alipour M; Izadkhast T
    J Chem Phys; 2022 Feb; 156(6):064302. PubMed ID: 35168336
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Reliable Prediction with Tuned Range-Separated Functionals of the Singlet-Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence.
    Sun H; Zhong C; Brédas JL
    J Chem Theory Comput; 2015 Aug; 11(8):3851-8. PubMed ID: 26574466
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions.
    Sandoval-Salinas ME; Brémond E; Pérez-Jiménez AJ; Adamo C; Sancho-García JC
    J Chem Phys; 2023 Jan; 158(4):044105. PubMed ID: 36725511
    [TBL] [Abstract][Full Text] [Related]  

  • 12. On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules.
    Ramírez-Solís A
    J Chem Phys; 2007 Jun; 126(22):224105. PubMed ID: 17581042
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Efficient self-consistent treatment of electron correlation within the random phase approximation.
    Bleiziffer P; Heßelmann A; Görling A
    J Chem Phys; 2013 Aug; 139(8):084113. PubMed ID: 24006980
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Geometries and vibrational frequencies with Kohn-Sham methods using σ-functionals for the correlation energy.
    Neiss C; Fauser S; Görling A
    J Chem Phys; 2023 Jan; 158(4):044107. PubMed ID: 36725500
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate NMR Shieldings with σ-Functionals.
    Fauser S; Drontschenko V; Ochsenfeld C; Görling A
    J Chem Theory Comput; 2024 Jul; 20(14):6028-6036. PubMed ID: 38967385
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Pariser-Parr-Pople model based investigation of ground and low-lying excited states of long acenes.
    Chakraborty H; Shukla A
    J Phys Chem A; 2013 Dec; 117(51):14220-9. PubMed ID: 24308558
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH.
    DeYonker NJ; Li S; Yamaguchi Y; Schaefer HF; Crawford TD; King RA; Peterson KA
    J Chem Phys; 2005 Jun; 122(23):234316. PubMed ID: 16008450
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes.
    Hajgató B; Szieberth D; Geerlings P; De Proft F; Deleuze MS
    J Chem Phys; 2009 Dec; 131(22):224321. PubMed ID: 20001050
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Analytic energy gradients for the self-consistent direct random phase approximation.
    Thierbach A; Görling A
    J Chem Phys; 2020 Oct; 153(13):134113. PubMed ID: 33032399
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Thermally-assisted-occupation density functional theory with generalized-gradient approximations.
    Chai JD
    J Chem Phys; 2014 May; 140(18):18A521. PubMed ID: 24832329
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.