Anna Krylov - Selected Publications#

Features and reviews:

1. A. I. Krylov, From Orbitals to Observables and Back, J. Chem. Phys. 153 080901 (2020).

2. D. Casanova and A. I. Krylov, Spin-Flip Methods in Quantum Chemistry, Phys. Chem. Chem. Phys. 22 4326-4342 (2020).

3. T.-C. Jagau, K. B. Bravaya, A. I. Krylov, Extending Quantum Chemistry of Bound States to Electronic Resonances, Ann. Rev. Phys. Chem. 68 525-553 (2017).

4. A. Acharya, A. M. Bogdanov, K. B. Br1avaya, B. L. Grigorenko, A. V. Nemukhin, K. A. Lukyanov, A. I. Krylov, Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?, Chem. Reviews 117 758-795 (2017).

5. A. I. Krylov, Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker’s Guide to Fock Space, Ann. Rev. Phys. Chem. 59 433-462 (2008).

Original publications:

1. S. Gozem, R. Seidel, U. Hergenhahn, E. Lugovoy, B. Abel, B. Winter, A. I. Krylov, and S. E. Bradforth, Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale With Angle-Resolved Photoelectron Spectroscopy, J. Phys. Chem. Lett. 11 5162-5170 (2020).

2. Z.-H. Loh, G. Doumy, C. Arnold, L. Kjellsson, S. H. Southworth, A. Al Haddad, Y. Kumagai, M.-F. Tu, P.J. Ho, A. M. March, R. D. Schaller, M. S. Bin Mohd Yusof, T. Debnath, M. Simon, R. Welsch, L. Inhester, K. Khalili, K. Nanda, A. I. Krylov, S. Moeller, G. Coslovich, J. Koralek, M. P. Minitti, W. F. Schlotter, J.-E. Rubensson, R. Santra, L. Young, Observation of the Fastest Chemical Processes in the Radiolysis of Water, Science 367 179-182 (2020).

3. K. Nanda, M. L. Vidal, R. Faber, S. Coriani, and A. I. Krylov How to Stay out of Trouble in RIXS Calculations within Equation-of-Motion Coupled-Cluster Damped Response Theory? Safe Hitchhiking in the Excitation Manifold by Means of Core-Valence Separation, Phys. Chem. Chem. Phys. 22 2629-2641 (2020).

4. P. Pokhilko, E. Epifanovsky, and A. I. Krylov, General Framework for Calculating Spin-Orbit Couplings Using Spinless One-Particle Density Matrices: Theory and Application to the Equation-of-Motion Coupled-Cluster Wave Functions, J. Chem. Phys. 151 034106 (2019).

5. N. V. Korovina, S. Das, Z. Nett, X. Feng, J. Joy, A. I. Krylov, S. E. Bradforth, M. E. Thompson, Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer, J. Am. Chem. Soc. 138 617-627 (2016).

Viewpoints and editorials:

1. A.I. Krylov, The peril of politicizing science, J. Phys. Chem. Lett. 12 5371-5376 (2021).