Felix Plasser
Cited by
Cited by
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
Newton‐X: a surface‐hopping program for nonadiabatic molecular dynamics
M Barbatti, M Ruckenbauer, F Plasser, J Pittner, G Granucci, M Persico, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (1), 26-33, 2014
New tools for the systematic analysis and visualization of electronic excitations. I. Formalism
F Plasser, M Wormit, A Dreuw
The Journal of chemical physics 141 (2), 2014
Analysis of excitonic and charge transfer interactions from quantum chemical calculations
F Plasser, H Lischka
Journal of chemical theory and computation 8 (8), 2777-2789, 2012
Multireference approaches for excited states of molecules
H Lischka, D Nachtigallova, AJA Aquino, PG Szalay, F Plasser, ...
Chemical reviews 118 (15), 7293-7361, 2018
TheoDORE: A toolbox for a detailed and automated analysis of electronic excited state computations
F Plasser
The Journal of chemical physics 152 (8), 2020
New tools for the systematic analysis and visualization of electronic excitations. II. Applications
F Plasser, SA Bšppler, M Wormit, A Dreuw
The Journal of chemical physics 141 (2), 2014
The multiradical character of one‐and two‐dimensional graphene nanoribbons
F Plasser, H Pašalić, MH Gerzabek, F Libisch, R Reiter, J BurgdŲrfer, ...
Angewandte Chemie International Edition 52 (9), 2581-2584, 2013
Surface hopping dynamics with correlated single-reference methods: 9H-adenine as a case study
F Plasser, R Crespo-Otero, M Pederzoli, J Pittner, H Lischka, M Barbatti
Journal of chemical theory and computation 10 (4), 1395-1405, 2014
Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
F Plasser, G Granucci, J Pittner, M Barbatti, M Persico, H Lischka
The Journal of chemical physics 137 (22), 2012
Efficient and flexible computation of many-electron wave function overlaps
F Plasser, M Ruckenbauer, S Mai, M Oppel, P Marquetand, L GonzŠlez
Journal of chemical theory and computation 12 (3), 1207-1219, 2016
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures
SA Bšppler, F Plasser, M Wormit, A Dreuw
Physical Review A 90 (5), 052521, 2014
NEWTON-X: a package for Newtonian dynamics close to the crossing seam
M Barbatti, G Granucci, M Ruckenbauer, F Plasser, R Crespo-Otero, ...
Dynamics 16 (3), 2007
Benchmarking excited-state calculations using exciton properties
SA Mewes, F Plasser, A Krylov, A Dreuw
Journal of Chemical Theory and Computation 14 (2), 710-725, 2018
Excited-state diproton transfer in [2, 2′-bipyridyl]-3, 3′-diol: The mechanism is sequential, not concerted
F Plasser, M Barbatti, AJA Aquino, H Lischka
The Journal of Physical Chemistry A 113 (30), 8490-8499, 2009
Quantitative wave function analysis for excited states of transition metal complexes
S Mai, F Plasser, J Dorn, M Fumanal, C Daniel, L GonzŠlez
Coordination Chemistry Reviews 361, 74-97, 2018
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron‐hole correlation
F Plasser, B Thomitzni, SA Bšppler, J Wenzel, DR Rehn, M Wormit, ...
Journal of Computational Chemistry 36 (21), 1609-1620, 2015
COLUMBUS, an ab initio electronic structure program
H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T MŁller, PG Szalay, ...
Release 5 (1), 2006
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