Felix Plasser
TitleCited byYear
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
7052016
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), 024106, 2014
2102014
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
2022012
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
1902014
The Multiradical Character of One‐and Two‐Dimensional Graphene Nanoribbons
F Plasser, H Pašalić, MH Gerzabek, F Libisch, R Reiter, J Burgdörfer, ...
Angewandte Chemie International Edition 52 (9), 2581-2584, 2013
1612013
NEWTON-X: a package for Newtonian dynamics close to the crossing seam
M Barbatti, G Granucci, M Ruckenbauer, F Plasser, R Crespo-Otero, ...
Version 0.11 b. www. univie. ac. at/newtonx. There is no corresponding …, 2007
131*2007
New tools for the systematic analysis and visualization of electronic excitations. II. Applications
F Plasser, SA Bäppler, M Wormit, A Dreuw
The Journal of chemical physics 141 (2), 024107, 2014
1212014
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
1142014
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), 22A514, 2012
1002012
Wiley Interdiscip
M Barbatti, M Ruckenbauer, F Plasser, J Pittner, G Granucci, M Persico, ...
Rev.: Comput. Mol. Sci 1 (4), 620, 2011
922011
COLUMBUS, an ab initio electronic structure program
H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ...
Release, 2012
84*2012
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
802009
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures
SA Bäppler, F Plasser, M Wormit, A Dreuw
Physical Review A 90 (5), 052521, 2014
762014
Electronically excited states and photodynamics: a continuing challenge
F Plasser, M Barbatti, AJA Aquino, H Lischka
Theoretical Chemistry Accounts 131 (1), 1073, 2012
682012
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron‐hole correlation
F Plasser, B Thomitzni, SA Bäppler, J Wenzel, DR Rehn, M Wormit, ...
Journal of computational chemistry 36 (21), 1609-1620, 2015
572015
UV absorption spectrum of alternating DNA duplexes. Analysis of excitonic and charge transfer interactions
F Plasser, AJA Aquino, WL Hase, H Lischka
The Journal of Physical Chemistry A 116 (46), 11151-11160, 2012
552012
Efficient and flexible computation of many-electron wave function overlaps
F Plasser, M Ruckenbauer, S Mai, M Oppel, P Marquetand, L González
Journal of chemical theory and computation 12 (3), 1207-1219, 2016
512016
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl) benzothiazole: a TDDFT molecular dynamics study
N Kungwan, F Plasser, AJA Aquino, M Barbatti, P Wolschann, H Lischka
Physical Chemistry Chemical Physics 14 (25), 9016-9025, 2012
512012
TheoDORE: a package for theoretical density, orbital relaxation, and exciton analysis
F Plasser
Version 1 (1), 2017
492017
A comparison of singlet and triplet states for one-and two-dimensional graphene nanoribbons using multireference theory
S Horn, F Plasser, T Müller, F Libisch, J Burgdörfer, H Lischka
Isaiah Shavitt, 209-217, 2016
492016
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Articles 1–20