Pavel Pokhilko

15PUBLICATIONS
103CO-AUTHORS
Formal methods for softwareCondensed matter modelling and density functional theoryNumerical solution of differential and integral equationsRadiation and matterStatistical mechanics in chemistry
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Publications (15)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Aug 26, 2026
Self-consistent vertex corrected GW with static and dynamic screening using tensor hypercontraction: Assessment of molecular charged excitations.

|Oct 28, 2025
Homotopy continuation method for solving Dyson equation fully self-consistently: Theory and application to NdNiO2.

Pavel Pokhilko, Dominika Zgid

|Oct 23, 2025
Multiconfigurational electronic structure calculations explain the role of ligands in g-tensor anisotropy for RuIII complexes.

Pavel Pokhilko, Yulia Pushkar

|Jun 25, 2025
Tensor hypercontraction for self-consistent vertex corrected GW with static and dynamic screening; applications to molecules and solids with superexchange.

Pavel Pokhilko, Chia-Nan Yeh, Miguel A Morales

|Aug 26, 2024
Tensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: Theory, implementation, and role of the Green's function second-order exchange for intermolecular interactions.

Pavel Pokhilko, Chia-Nan Yeh, Miguel A Morales

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Frequent Collaborators

7 joint publications

Dominika Zgid

6 joint publications

Anna I Krylov

3 joint publications

Miguel A Morales

2 joint publications

Chia-Nan Yeh