From orbitals to observables and back von Krylov, Anna I.

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Spin-flip methods in quantum chemistry von Casanova, David, Krylov, Anna I

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Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space von Krylov, Anna I

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The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling von Gozem, Samer, Krylov, Anna I.

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Feshbach–Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. I. Theory and implementation von Skomorowski, Wojciech, Krylov, Anna I.

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Feshbach–Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. II. Numerical examples and benchmarks von Skomorowski, Wojciech, Krylov, Anna I.

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On couplings and excimers: lessons from studies of singlet fission in covalently linked tetracene dimers von Feng, Xintian, Krylov, Anna I

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Singlet-triplet energy gaps and the degree of diradical character in binuclear copper molecular magnets characterized by spin-flip density functional theory von Orms, Natalie, Krylov, Anna I

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Extending Quantum Chemistry of Bound States to Electronic Resonances von Jagau, Thomas-C, Bravaya, Ksenia B, Krylov, Anna I

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Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing? von Acharya, Atanu, Bogdanov, Alexey M, Grigorenko, Bella L, Bravaya, Ksenia B, Nemukhin, Alexander V, Lukyanov, Konstantin A, Krylov, Anna I

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Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer von Korovina, Nadezhda V, Das, Saptaparna, Nett, Zachary, Feng, Xintian, Joy, Jimmy, Haiges, Ralf, Krylov, Anna I, Bradforth, Stephen E, Thompson, Mark E

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Calculations predict a stable molecular crystal of N8 von Hirshberg, Barak, Gerber, R. Benny, Krylov, Anna I.

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Fission of Entangled Spins: An Electronic Structure Perspective von Feng, Xintian, Luzanov, Anatoliy V, Krylov, Anna I

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General formulation of spin-flip time-dependent density functional theory using non-collinear kernels: Theory, implementation, and benchmarks von Bernard, Yves A., Shao, Yihan, Krylov, Anna I.

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Intra- and Intermolecular Singlet Fission in Covalently Linked Dimers von Feng, Xintian, Casanova, David, Krylov, Anna I

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Q-Chem: an engine for innovation von Krylov, Anna I., Gill, Peter M.W.

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A Simple Kinetic Model for Singlet Fission: A Role of Electronic and Entropic Contributions to Macroscopic Rates von Kolomeisky, Anatoly B, Feng, Xintian, Krylov, Anna I

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Interplay of Open-Shell Spin-Coupling and Jahn–Teller Distortion in Benzene Radical Cation Probed by X‑ray Spectroscopy von Vidal, Marta L, Epshtein, Michael, Scutelnic, Valeriu, Yang, Zheyue, Xue, Tian, Leone, Stephen R, Krylov, Anna I, Coriani, Sonia

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Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical von Kjellsson, L., Nanda, K. D., Rubensson, J-E, Doumy, G., Southworth, S. H., Ho, P. J., March, A. M., Al Haddad, A., Kumagai, Y., Tu, M-F, Schaller, R. D., Debnath, T., Yusof, M. S. Bin Mohd, Arnold, C., Schlotter, W. F., Moeller, S., Coslovich, G., Koralek, J. D., Minitti, M. P., Vidal, M. L., Simon, M., Santra, R., Loh, Z-H, Coriani, S., Krylov, A., Young, L.

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Table-Top X‑ray Spectroscopy of Benzene Radical Cation von Epshtein, Michael, Scutelnic, Valeriu, Yang, Zheyue, Xue, Tian, Vidal, Marta L, Krylov, Anna I, Coriani, Sonia, Leone, Stephen R

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