Pavel Pokhilko

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 9

Top Topics

Transition Metal

Density Functional Theory

Diffusion Weighted Imaging

Top Venues

The journal of physical chemistry letters

The Journal of chemical physics

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Sven Kähler, Antonio Cebreiro-Gallardo, Pavel Pokhilko, David Casanova, Anna I Krylov
State-Interaction Approach for Evaluating g -Tensors within EOM-CC and RAS-CI Frameworks: Theory and Benchmarks. The journal of physical chemistry. A (2023)
Pavel Pokhilko, Dominika Zgid
Evaluation of Neel Temperatures from Fully Self-Consistent Broken-Symmetry GW and High-Temperature Expansion: Application to Cubic Transition-Metal Oxides. The journal of physical chemistry letters (2023)
Pavel Pokhilko, Dominika Zgid
Natural orbitals and two-particle correlators as tools for the analysis of effective exchange couplings in solids. Physical chemistry chemical physics : PCCP (2023)
Saikiran Kotaru, Pavel Pokhilko, Anna I Krylov
Spin-orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations. The Journal of chemical physics 157 (22) (2022)
Pavel Pokhilko, Daniil Izmodenov, Anna I Krylov
Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets. The Journal of chemical physics 152 (3) (2020)
Marta L Vidal, Pavel Pokhilko, Anna I Krylov, Sonia Coriani
Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra. The journal of physical chemistry letters 11 (19) (2020)
Pavel Pokhilko, Robin Shannon, David R Glowacki, Hai Wang, Anna I Krylov
Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(3P). The journal of physical chemistry. A 123 (2) (2019)
Pavel Pokhilko, Anna I Krylov
Quantitative El-Sayed Rules for Many-Body Wave Functions from Spinless Transition Density Matrices. The journal of physical chemistry letters 10 (17) (2019)
Pavel Pokhilko, Evgeny Epifanovsky, Anna I Krylov
Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom. Journal of chemical theory and computation 14 (8) (2018)