215. K.D. Nanda, A.I. Krylov, and J. Gauss
Communication: The pole structure of the dynamical polarizability tensor in equation-of-motion coupled-cluster theory
J. Chem. Phys.
149, 141101
(2018)
Abstract
PDF
214. A.I. Krylov, T. Windus, T. Barnes, E. Marin-Rimoldi, J. Nash, B. Pritchard, D. Smith, D. Altarawy, P. Saxe, C. Clementi, T. D. Crawford, R. Harrison, S. Jha, V. Pande, and T. Head-Gordon
Computational chemistry software and its advancement: Three Grand Challenge cases for computational molecular science
J. Chem. Phys.
, submitted
(2018)
Abstract
213. P. Nijjar, A.I. Krylov, O.V. Prezhdo, A.F. Vilesov, and C. Wittig
The conversion of He(23S) to He2(a3
Sigmau+) in liquid helium
J. Phys. Chem. Lett.
9, 6017 – 6023
(2018)
Abstract
PDF Supporting info
212. K. Nanda and A.I. Krylov
The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach
J. Chem. Phys.
, in press
(2018)
Abstract
211. S. Matsika and A.I. Krylov
Introduction: Theoretical modeling of excited-state processes
Chem. Rev.
118, 6925 – 6926
(2018)
Abstract
PDF
210. W. Skomorowski and A.I. Krylov
Real and imaginary excitons: Making sense of resonance wavefunctions by
using reduced state and transition density matrices
J. Phys. Chem. Lett.
9, 4101
(2018)
Abstract
PDF Supporting info
209. M. H. Farag and A.I. Krylov
Singlet fission in perylenediimide dimers
J. Phys. Chem. C
, submitted
(2018)
Abstract
208. S. Xu, A. Barrozo, L.M. Tender, A.I. Krylov, and M.Y. El-Naggar
Multiheme cytochrome mediated redox conduction through Shewanella oneidensis MR-1 cells
J. Am. Chem. Soc.
140, 10085 – 10089
(2018)
Abstract
PDF Supporting info
207. B. Samanta, S. Sutradhar, R. Fernando, A.I. Krylov, and H. Reisler
Electronic structure and Rydberg-core interactions in hydroxycarbene and methylhydroxycarbene
J. Phys. Chem. A 122, 6176 – 6182
(2018)
Abstract
PDF
206. N.V. Korovina, J. Joy, X. Feng, C. Feltenberger, A.I. Krylov, S.E. Bradforth, and M.E. Thompson
Linker-dependent singlet fission in tetracene dimers
J. Am. Chem. Soc. 140, 10179 – 10190
(2018)
Abstract
PDF Supporting info
