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 *

163 related articles for article (PubMed ID: 26588551)

  • 1. Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction Singles.
    Ochi M; Tsuneyuki S
    J Chem Theory Comput; 2014 Sep; 10(9):4098-103. PubMed ID: 26588551
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: application to band-structure calculation for some semiconductors and insulators.
    Ochi M; Sodeyama K; Tsuneyuki S
    J Chem Phys; 2014 Feb; 140(7):074112. PubMed ID: 24559343
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Efficient algorithm of the transcorrelated method for periodic systems.
    Ochi M; Sodeyama K; Sakuma R; Tsuneyuki S
    J Chem Phys; 2012 Mar; 136(9):094108. PubMed ID: 22401430
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A new fragment-based approach for calculating electronic excitation energies of large systems.
    Ma Y; Liu Y; Ma H
    J Chem Phys; 2012 Jan; 136(2):024113. PubMed ID: 22260570
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Resonance Raman spectra of uracil based on Kramers-Kronig relations using time-dependent density functional calculations and multireference perturbation theory.
    Neugebauer J; Hess BA
    J Chem Phys; 2004 Jun; 120(24):11564-77. PubMed ID: 15268191
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excited electronic state calculations by the transcorrelated variational Monte Carlo method: application to a helium atom.
    Umezawa N; Tsuneyuki S
    J Chem Phys; 2004 Oct; 121(15):7070-5. PubMed ID: 15473772
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids.
    Lorenz M; Maschio L; Schütz M; Usvyat D
    J Chem Phys; 2012 Nov; 137(20):204119. PubMed ID: 23205993
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers.
    Lorenz M; Usvyat D; Schütz M
    J Chem Phys; 2011 Mar; 134(9):094101. PubMed ID: 21384944
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory.
    Rocca D; Lu D; Galli G
    J Chem Phys; 2010 Oct; 133(16):164109. PubMed ID: 21033777
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The quest for best suited references for configuration interaction singles calculations of core excited states.
    Ehlert C; Klamroth T
    J Comput Chem; 2017 Jan; 38(2):116-126. PubMed ID: 27862049
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential method.
    Arora P; Slipchenko LV; Webb SP; DeFusco A; Gordon MS
    J Phys Chem A; 2010 Jul; 114(25):6742-50. PubMed ID: 20527868
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy.
    Roemelt M; Maganas D; DeBeer S; Neese F
    J Chem Phys; 2013 May; 138(20):204101. PubMed ID: 23742448
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Pros and cons of the time-dependent hybrid density functional approach for calculating the optical spectra of solids: a case study of CeO
    Sun HY; Li SX; Jiang H
    Phys Chem Chem Phys; 2021 Aug; 23(30):16296-16306. PubMed ID: 34312647
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Configuration interaction singles based on the real-space numerical grid method: Kohn-Sham versus Hartree-Fock orbitals.
    Kim J; Hong K; Choi S; Hwang SY; Youn Kim W
    Phys Chem Chem Phys; 2015 Dec; 17(47):31434-43. PubMed ID: 25869540
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Variational transcorrelated method.
    Luo H
    J Chem Phys; 2010 Oct; 133(15):154109. PubMed ID: 20969372
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.
    Xie RH; Bryant GW; Sun G; Nicklaus MC; Heringer D; Frauenheim T; Manaa MR; Smith VH; Araki Y; Ito O
    J Chem Phys; 2004 Mar; 120(11):5133-47. PubMed ID: 15267383
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational studies of molecular charge transfer complexes of heterocyclic 4-methylepyridine-2-azomethine-p-benzene derivatives with picric acid and m-dinitrobenzene.
    Al-Harbi LM; El-Mossalamy EH; Obaid AY; Al-Jedaani AH
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():25-31. PubMed ID: 24177865
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems.
    Fujita T; Mochizuki Y
    J Phys Chem A; 2018 Apr; 122(15):3886-3898. PubMed ID: 29589927
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Density functional calculations of the vibronic structure of electronic absorption spectra.
    Dierksen M; Grimme S
    J Chem Phys; 2004 Feb; 120(8):3544-54. PubMed ID: 15268516
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.