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 *

119 related articles for article (PubMed ID: 33810642)

  • 1. Incremental vibrational configuration interaction theory, iVCI: Implementation and benchmark calculations.
    Schröder B; Rauhut G
    J Chem Phys; 2021 Mar; 154(12):124114. PubMed ID: 33810642
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Comparison of body definitions for incremental vibrational configuration interaction theory (iVCI).
    Schröder B; Rauhut G
    J Chem Phys; 2022 May; 156(17):174103. PubMed ID: 35525639
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Advances in vibrational configuration interaction theory - part 1: Efficient calculation of vibrational angular momentum terms.
    Mathea T; Rauhut G
    J Comput Chem; 2021 Dec; 42(32):2321-2333. PubMed ID: 34651703
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation space.
    Mathea T; Petrenko T; Rauhut G
    J Comput Chem; 2022 Jan; 43(1):6-18. PubMed ID: 34651704
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Configuration selection as a route towards efficient vibrational configuration interaction calculations.
    Rauhut G
    J Chem Phys; 2007 Nov; 127(18):184109. PubMed ID: 18020632
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Toward large scale vibrational configuration interaction calculations.
    Neff M; Rauhut G
    J Chem Phys; 2009 Sep; 131(12):124129. PubMed ID: 19791874
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Comprehensive quantum chemical analysis of the (ro)vibrational spectrum of thiirane and its deuterated isotopologue.
    De Vos J; Schröder B; Rauhut G
    Spectrochim Acta A Mol Biomol Spectrosc; 2023 Dec; 302():123083. PubMed ID: 37423098
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.
    Heislbetz S; Rauhut G
    J Chem Phys; 2010 Mar; 132(12):124102. PubMed ID: 20370109
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states.
    Godtliebsen IH; Christiansen O
    J Chem Phys; 2015 Oct; 143(13):134108. PubMed ID: 26450293
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Vibrational excitation energies from vibrational coupled cluster response theory.
    Seidler P; Christiansen O
    J Chem Phys; 2007 May; 126(20):204101. PubMed ID: 17552748
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Multi-reference vibration correlation methods.
    Pfeiffer F; Rauhut G
    J Chem Phys; 2014 Feb; 140(6):064110. PubMed ID: 24527903
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Configuration space partitioning and matrix buildup scaling for the vibrational configuration interaction method.
    Samsonyuk A; Scheurer C
    J Comput Chem; 2013 Jan; 34(1):27-37. PubMed ID: 22936205
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations.
    Chilkuri VG; Neese F
    J Chem Theory Comput; 2021 May; 17(5):2868-2885. PubMed ID: 33886300
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Calculating vibrational excitation energies using tensor-decomposed vibrational coupled-cluster response theory.
    Madsen NK; Jensen RB; Christiansen O
    J Chem Phys; 2021 Feb; 154(5):054113. PubMed ID: 33557569
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks.
    Loos PF; Scemama A; Blondel A; Garniron Y; Caffarel M; Jacquemin D
    J Chem Theory Comput; 2018 Aug; 14(8):4360-4379. PubMed ID: 29966098
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate Vibrational Configuration Interaction Calculations on Diborane and Its Isotopologues.
    Ziegler B; Rauhut G
    J Phys Chem A; 2019 Apr; 123(15):3367-3373. PubMed ID: 30916960
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Efficient configuration selection scheme for vibrational second-order perturbation theory.
    Yagi K; Hirata S; Hirao K
    J Chem Phys; 2007 Jul; 127(3):034111. PubMed ID: 17655435
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems.
    Petrenko T; Rauhut G
    J Chem Phys; 2017 Mar; 146(12):124101. PubMed ID: 28388102
    [TBL] [Abstract][Full Text] [Related]  

  • 19. VSCF/VCI theory based on the Podolsky Hamiltonian.
    Schneider M; Rauhut G
    J Chem Phys; 2024 Jun; 160(21):. PubMed ID: 38832735
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Assignment of vibrational states within configuration interaction calculations.
    Mathea T; Rauhut G
    J Chem Phys; 2020 May; 152(19):194112. PubMed ID: 33687257
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.