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 *

138 related articles for article (PubMed ID: 22112058)

  • 1. Communication: Standard surface hopping predicts incorrect scaling for Marcus' golden-rule rate: the decoherence problem cannot be ignored.
    Landry BR; Subotnik JE
    J Chem Phys; 2011 Nov; 135(19):191101. PubMed ID: 22112058
    [TBL] [Abstract][Full Text] [Related]  

  • 2. How to recover Marcus theory with fewest switches surface hopping: add just a touch of decoherence.
    Landry BR; Subotnik JE
    J Chem Phys; 2012 Dec; 137(22):22A513. PubMed ID: 23249050
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Can surface hopping sans decoherence recover Marcus theory? Understanding the role of friction in a surface hopping view of electron transfer.
    Falk MJ; Landry BR; Subotnik JE
    J Phys Chem B; 2014 Jul; 118(28):8108-17. PubMed ID: 24745794
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical).
    Landry BR; Subotnik JE
    J Chem Phys; 2015 Mar; 142(10):104102. PubMed ID: 25770523
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Communication: The correct interpretation of surface hopping trajectories: how to calculate electronic properties.
    Landry BR; Falk MJ; Subotnik JE
    J Chem Phys; 2013 Dec; 139(21):211101. PubMed ID: 24320356
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics.
    Shenvi N; Subotnik JE; Yang W
    J Chem Phys; 2011 Apr; 134(14):144102. PubMed ID: 21495737
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping.
    Lawrence JE; Mannouch JR; Richardson JO
    J Phys Chem Lett; 2024 Jan; 15(3):707-716. PubMed ID: 38214476
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Surface hopping simulation of vibrational predissociation of methanol dimer.
    Jiang R; Sibert EL
    J Chem Phys; 2012 Jun; 136(22):224104. PubMed ID: 22713033
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Critical appraisal of the fewest switches algorithm for surface hopping.
    Granucci G; Persico M
    J Chem Phys; 2007 Apr; 126(13):134114. PubMed ID: 17430023
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On the accuracy of surface hopping dynamics in condensed phase non-adiabatic problems.
    Chen HT; Reichman DR
    J Chem Phys; 2016 Mar; 144(9):094104. PubMed ID: 26957154
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Benchmarking the Surface Hopping Method to Include Nuclear Quantum Effects.
    Sindhu A; Jain A
    J Chem Theory Comput; 2021 Feb; 17(2):655-665. PubMed ID: 33432812
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence.
    Subotnik JE; Ouyang W; Landry BR
    J Chem Phys; 2013 Dec; 139(21):214107. PubMed ID: 24320364
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Detailed Balance and Independent Electron Surface-Hopping Method: The Importance of Decoherence and Correct Calculation of Diabatic Populations.
    Pradhan CS; Jain A
    J Chem Theory Comput; 2022 Aug; 18(8):4615-4626. PubMed ID: 35880817
    [TBL] [Abstract][Full Text] [Related]  

  • 14. An efficient solution to the decoherence enhanced trivial crossing problem in surface hopping.
    Bai X; Qiu J; Wang L
    J Chem Phys; 2018 Mar; 148(10):104106. PubMed ID: 29544303
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Estimating the entropy and quantifying the impurity of a swarm of surface-hopping trajectories: a new perspective on decoherence.
    Ouyang W; Subotnik JE
    J Chem Phys; 2014 May; 140(20):204102. PubMed ID: 24880261
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A new approach to decoherence and momentum rescaling in the surface hopping algorithm.
    Subotnik JE; Shenvi N
    J Chem Phys; 2011 Jan; 134(2):024105. PubMed ID: 21241078
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation method revisited: applications to Tully's three model systems.
    Wu Y; Herman MF
    J Chem Phys; 2005 Oct; 123(14):144106. PubMed ID: 16238373
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Does Nonadiabatic Transition State Theory Make Sense Without Decoherence?
    Jain A; Subotnik JE
    J Phys Chem Lett; 2015 Dec; 6(23):4809-14. PubMed ID: 26631360
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics.
    Cheng SC; Zhu C; Liang KK; Lin SH; Truhlar DG
    J Chem Phys; 2008 Jul; 129(2):024112. PubMed ID: 18624521
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Bandlike Charge Transport in Organic Semiconductors.
    Xie W; Holub D; Kubař T; Elstner M
    J Chem Theory Comput; 2020 Apr; 16(4):2071-2084. PubMed ID: 32176844
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.