Fedorov DA - Search Results

1

Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers.

Fedorov DA, Derevianko A, Varganov SA. Fedorov DA, et al. J Chem Phys. 2014 May 14;140(18):184315. doi: 10.1063/1.4875038. J Chem Phys. 2014. PMID: 24832278

2

Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations.

Fedorov DA, Barnes DK, Varganov SA. Fedorov DA, et al. J Chem Phys. 2017 Sep 28;147(12):124304. doi: 10.1063/1.4986818. J Chem Phys. 2017. PMID: 28964028

3

Erratum: "Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers" [J. Chem. Phys. 140, 184315 (2014)].

Fedorov DA, Derevianko A, Varganov SA. Fedorov DA, et al. J Chem Phys. 2017 Nov 28;147(20):209901. doi: 10.1063/1.5004718. J Chem Phys. 2017. PMID: 29195293 No abstract available.

4

Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between (3)B1 and (1)A1 States of GeH2.

Fedorov DA, Pruitt SR, Keipert K, Gordon MS, Varganov SA. Fedorov DA, et al. J Phys Chem A. 2016 May 12;120(18):2911-9. doi: 10.1021/acs.jpca.6b01406. Epub 2016 Apr 27. J Phys Chem A. 2016. PMID: 27064356

5

Predicting Intersystem Crossing Rates with AIMS-DFT Molecular Dynamics.

Fedorov DA, Lykhin AO, Varganov SA. Fedorov DA, et al. J Phys Chem A. 2018 Apr 5;122(13):3480-3488. doi: 10.1021/acs.jpca.8b00883. Epub 2018 Mar 23. J Phys Chem A. 2018. PMID: 29533626

6

Modeling Spin-Crossover Dynamics.

Mukherjee S, Fedorov DA, Varganov SA. Mukherjee S, et al. Among authors: fedorov da. Annu Rev Phys Chem. 2021 Apr 20;72:515-540. doi: 10.1146/annurev-physchem-101419-012625. Epub 2021 Feb 9. Annu Rev Phys Chem. 2021. PMID: 33561360

7

A discontinuous basis enables numerically exact solution of the Schrödinger equation around conical intersections in the adiabatic representation.

Fedorov DA, Levine BG. Fedorov DA, et al. J Chem Phys. 2019 Feb 7;150(5):054102. doi: 10.1063/1.5058268. J Chem Phys. 2019. PMID: 30736673

8

Ab initio molecular dynamics on quantum computers.

Fedorov DA, Otten MJ, Gray SK, Alexeev Y. Fedorov DA, et al. J Chem Phys. 2021 Apr 28;154(16):164103. doi: 10.1063/5.0046930. J Chem Phys. 2021. PMID: 33940828

9

Nonadiabatic Quantum Molecular Dynamics in Dense Manifolds of Electronic States.

Fedorov DA, Levine BG. Fedorov DA, et al. J Phys Chem Lett. 2019 Aug 15;10(16):4542-4548. doi: 10.1021/acs.jpclett.9b01902. Epub 2019 Jul 29. J Phys Chem Lett. 2019. PMID: 31342748

10

PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics.

Fedorov DA, Seritan S, Fales BS, Martínez TJ, Levine BG. Fedorov DA, et al. J Chem Theory Comput. 2020 Sep 8;16(9):5485-5498. doi: 10.1021/acs.jctc.0c00575. Epub 2020 Aug 6. J Chem Theory Comput. 2020. PMID: 32687710

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