Pavel Pokhilko
Affiliations: | 2020 | Chemistry | University of Southern California, Los Angeles, CA, United States |
2020- | University of Michigan, Ann Arbor, Ann Arbor, MI |
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Publications
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Kähler S, Cebreiro-Gallardo A, Pokhilko P, et al. (2023) State-Interaction Approach for Evaluating -Tensors within EOM-CC and RAS-CI Frameworks: Theory and Benchmarks. The Journal of Physical Chemistry. A. 127: 8459-8472 |
Pokhilko P, Zgid D. (2023) Natural orbitals and two-particle correlators as tools for the analysis of effective exchange couplings in solids. Physical Chemistry Chemical Physics : Pccp. 25: 21267-21279 |
Kotaru S, Pokhilko P, Krylov AI. (2022) Spin-orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations. The Journal of Chemical Physics. 157: 224110 |
Pokhilko P, Krylov AI. (2020) Effective Hamiltonians derived from equation-of-motion coupled-cluster wave functions: Theory and application to the Hubbard and Heisenberg Hamiltonians. The Journal of Chemical Physics. 152: 094108 |
Carreras A, Jiang H, Pokhilko P, et al. (2020) Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications. The Journal of Chemical Physics. 153: 214107 |
Vidal ML, Pokhilko P, Krylov AI, et al. (2020) Equation-of-Motion Coupled-Cluster Theory to Model L-edge X-Ray Absorption and Photoelectron Spectra. The Journal of Physical Chemistry Letters |
Haggag OS, Malakar P, Pokhilko P, et al. (2020) The elusive dynamics of aqueous permanganate photochemistry. Physical Chemistry Chemical Physics : Pccp |
Pokhilko P, Izmodenov D, Krylov AI. (2020) Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets. The Journal of Chemical Physics. 152: 034105 |
Pokhilko P, Krylov AI. (2020) Effective Hamiltonians derived from equation-of-motion coupled-cluster wave functions: Theory and application to the Hubbard and Heisenberg Hamiltonians The Journal of Chemical Physics. 152: 094108 |
Pokhilko P, Krylov AI. (2019) Quantitative El-Sayed Rules for Many-Body Wavefunctions from Spinless Transition Density Matrices. The Journal of Physical Chemistry Letters |