Sergey I Bokarev

13PUBLICATIONS
115CO-AUTHORS
Statistical mechanics in chemistryAtomic and molecular physicsIntegrable systems (classical and quantum)Molecular imaging (incl. electron microscopy and neutron diffraction)Programming languages
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Publications (13)

|Feb 19, 2026
Optimal initial condition sampling for multi-configurational Ehrenfest dynamics.

Thies Romig, Francesco Montorsi, Francesco Segatta

|May 12, 2025
A frequency-domain approach to molecular photoionization via driven Schrödinger equation.

Tobias Marx, Sergey I Bokarev

|Sep 18, 2023
Spin-flip dynamics in core-excited states in the basis of irreducible spherical tensor operators.

Thies Romig, Vladislav Kochetov, Sergey I Bokarev

|Jul 29, 2023
Valence and Core Photoelectron Spectra of Aqueous I3- from Multi-Reference Quantum Chemistry.

Vladislav Kochetov, Md Sabbir Ahsan, Dennis Hein

|May 22, 2023
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.

Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi

|Apr 28, 2023
A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates.

Andy Kaiser, Razan E Daoud, Francesco Aquilante

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Frequent Collaborators

3 joint publications

Oliver Kühn

3 joint publications

Thies Romig

3 joint publications

Vladislav Kochetov

3 joint publications

Leticia González