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 *

190 related articles for article (PubMed ID: 32027802)

  • 1. Extended Dynamically Weighted CASPT2: The Best of Two Worlds.
    Battaglia S; Lindh R
    J Chem Theory Comput; 2020 Mar; 16(3):1555-1567. PubMed ID: 32027802
    [TBL] [Abstract][Full Text] [Related]  

  • 2. On the role of symmetry in XDW-CASPT2.
    Battaglia S; Lindh R
    J Chem Phys; 2021 Jan; 154(3):034102. PubMed ID: 33499630
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Single-State Single-Reference and Multistate Multireference Zeroth-Order Hamiltonians in MS-CASPT2 and Conical Intersections.
    Park JW
    J Chem Theory Comput; 2019 Jul; 15(7):3960-3973. PubMed ID: 31095392
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Pyrazine excited states revisited using the extended multi-state complete active space second-order perturbation method.
    Shiozaki T; Woywod C; Werner HJ
    Phys Chem Chem Phys; 2013 Jan; 15(1):262-9. PubMed ID: 23160235
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Communication: extended multi-state complete active space second-order perturbation theory: energy and nuclear gradients.
    Shiozaki T; Gyorffy W; Celani P; Werner HJ
    J Chem Phys; 2011 Aug; 135(8):081106. PubMed ID: 21895152
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods.
    Nishimoto Y; Battaglia S; Lindh R
    J Chem Theory Comput; 2022 Jul; 18(7):4269-4281. PubMed ID: 35699280
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Analytical Derivative Coupling for Multistate CASPT2 Theory.
    Park JW; Shiozaki T
    J Chem Theory Comput; 2017 Jun; 13(6):2561-2570. PubMed ID: 28471661
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States.
    Yanai T; Saitow M; Xiong XG; Chalupský J; Kurashige Y; Guo S; Sharma S
    J Chem Theory Comput; 2017 Oct; 13(10):4829-4840. PubMed ID: 28881132
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods.
    Li C; Lindh R; Evangelista FA
    J Chem Phys; 2019 Apr; 150(14):144107. PubMed ID: 30981256
    [TBL] [Abstract][Full Text] [Related]  

  • 10. State-interaction pair density functional theory for locally avoided crossings of potential energy surfaces in methylamine.
    Zhou C; Gagliardi L; Truhlar DG
    Phys Chem Chem Phys; 2019 Jul; 21(25):13486-13493. PubMed ID: 31204766
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Compressed-State Multistate Pair-Density Functional Theory.
    Bao JJ; Zhou C; Truhlar DG
    J Chem Theory Comput; 2020 Dec; 16(12):7444-7452. PubMed ID: 33141587
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction.
    Song C; Martínez TJ
    J Chem Phys; 2020 Jun; 152(23):234113. PubMed ID: 32571032
    [TBL] [Abstract][Full Text] [Related]  

  • 13. XMS-CASPT2//XMS-CASPT2 and XMS-CASPT2//CASSCF at comparison: The impact of dynamic correlation in the excited state optimization of nitronaphthalene.
    Giussani A; Segarra-Martí J
    J Chem Phys; 2024 Jul; 161(1):. PubMed ID: 38953440
    [TBL] [Abstract][Full Text] [Related]  

  • 14. On the location of conical intersections in CH2BrCl using MS-CASPT2 methods.
    Rozgonyi T; Gonzalez L
    J Phys Chem A; 2006 Aug; 110(34):10251-9. PubMed ID: 16928115
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot Applications.
    Phung QM; Komori Y; Yanai T; Sommerfeld T; Ehara M
    J Chem Theory Comput; 2020 Apr; 16(4):2606-2616. PubMed ID: 32105477
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Analytical First-Order Derivatives of Second-Order Extended Multiconfiguration Quasi-Degenerate Perturbation Theory (XMCQDPT2): Implementation and Application.
    Park JW
    J Chem Theory Comput; 2020 Sep; 16(9):5562-5571. PubMed ID: 32786905
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2).
    Levine BG; Coe JD; Martínez TJ
    J Phys Chem B; 2008 Jan; 112(2):405-13. PubMed ID: 18081339
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping.
    Polyak I; Hutton L; Crespo-Otero R; Barbatti M; Knowles PJ
    J Chem Theory Comput; 2019 Jul; 15(7):3929-3940. PubMed ID: 31244132
    [TBL] [Abstract][Full Text] [Related]  

  • 19. State-Interaction Pair-Density Functional Theory Can Accurately Describe a Spiro Mixed Valence Compound.
    Dong SS; Huang KB; Gagliardi L; Truhlar DG
    J Phys Chem A; 2019 Mar; 123(10):2100-2106. PubMed ID: 30779572
    [TBL] [Abstract][Full Text] [Related]  

  • 20. New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation.
    Song C
    J Chem Phys; 2024 Mar; 160(12):. PubMed ID: 38526101
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.