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The Journal of Chemical Physics|January 7, 2026
Analytic gradients for EOM-DEA-CCSD and EOM-DIP-CCSD: Theory, implementation, and application to diradicalsTingting Zhao, Anna I KrylovAccounts of Chemical Research|February 24, 2006
Spin-flip equation-of-motion coupled-cluster electronic structure method for a description of excited states, bond breaking, diradicals, and triradicalsAnna I KrylovAnnual Review of Physical Chemistry|January 5, 2008
Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock spaceAnna I KrylovThe Journal of Chemical Physics|January 22, 2021
Effective Hamiltonians derived from equation-of-motion coupled-cluster wave functions: Theory and application to the Hubbard and Heisenberg HamiltoniansPavel Pokhilko, Anna I KrylovThe Journal of Physical Chemistry. B|September 25, 2015
On the Nature of an Extended Stokes Shift in the mPlum Fluorescent ProteinShirin Faraji, Anna I KrylovPhysical Chemistry Chemical Physics : PCCP|January 30, 2018
Singlet-triplet energy gaps and the degree of diradical character in binuclear copper molecular magnets characterized by spin-flip density functional theoryNatalie Orms, Anna I KrylovThe Journal of Chemical Physics|February 28, 2021
Feshbach-Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. I. Theory and implementationWojciech Skomorowski, Anna I KrylovThe Journal of Physical Chemistry Letters|August 7, 2019
Quantitative El-Sayed Rules for Many-Body Wave Functions from Spinless Transition Density MatricesPavel Pokhilko, Anna I KrylovPageof 135