Burkhard Schmidt
Burkhard Schmidt
Researcher, FU Berlin
Bekræftet mail på fu-berlin.de - Startside
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Quantum-classical Liouville approach to molecular dynamics: Surface hopping Gaussian phase-space packets
I Horenko, C Salzmann, B Schmidt, C Schütte
The Journal of chemical physics 117 (24), 11075-11088, 2002
1532002
Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer
J Antony, G von Helden, G Meijer, B Schmidt
The Journal of Chemical Physics 123 (1), 014305, 2005
942005
Ab initio molecular dynamics simulation of a medium-sized water cluster anion: From an interior to a surface-located excess electron via a delocalized state
T Frigato, J VandeVondele, B Schmidt, C Schütte, P Jungwirth
The Journal of Physical Chemistry A 112 (27), 6125-6133, 2008
892008
Dynamics of electron localization in warm versus cold water clusters
O Marsalek, F Uhlig, T Frigato, B Schmidt, P Jungwirth
Physical review letters 105 (4), 043002, 2010
832010
A perturbation approach to predict infrared spectra of small molecular clusters applied to methanol
U Buck, B Schmidt
The Journal of chemical physics 98 (12), 9410-9424, 1993
751993
State‐selective control for vibrational excitation and dissociation of diatomic molecules with shaped ultrashort infrared laser pulses
MV Korolkov, GK Paramonov, B Schmidt
The Journal of chemical physics 105 (5), 1862-1879, 1996
631996
Two‐and three‐body forces in the interaction of He atoms with Xe overlayers adsorbed on (0001) graphite
RA Aziz, U Buck, H Jónsson, JC Ruiz‐Suárez, B Schmidt, G Scoles, ...
The Journal of chemical physics 91 (10), 6477-6493, 1989
601989
Vibrationally state-selective photoassociation by infrared sub-picosecond laser pulses: model simulations for O+ H→ OH (ν)
MV Korolkov, J Manz, GK Paramonov, B Schmidt
Chemical physics letters 260 (5), 604-610, 1996
581996
An explicit and symplectic integrator for quantum-classical molecular dynamics
P Nettesheim, FA Bornemann, B Schmidt, C Schütte
Chemical Physics Letters 256 (6), 581-588, 1996
521996
Fully adaptive propagation of the quantum-classical Liouville equation
I Horenko, M Weiser, B Schmidt, C Schütte
The Journal of chemical physics 120 (19), 8913-8923, 2004
502004
Cross sections for rotational decoherence of perturbed nitrogen measured via decay of laser-induced alignment
N Owschimikow, F Königsmann, J Maurer, P Giese, A Ott, B Schmidt, ...
The Journal of chemical physics 133 (4), 044311, 2010
472010
Quantum ignition of intramolecular rotation by means of IR+ UV laser pulses
Y Fujimura, L González, D Kröner, J Manz, I Mehdaoui, B Schmidt
Chemical physics letters 386 (4-6), 248-253, 2004
472004
Photolysis of hydrogen chloride embedded in the first argon solvation shell: Rotational control and quantum dynamics of photofragments
P Žďánská, B Schmidt, P Jungwirth
The Journal of chemical physics 110 (13), 6246-6256, 1999
461999
Quantum dynamical aspects of rotationally and vibrationally mediated photochemistry in matrices and at surfaces HCl/DCl in Ar and NH 3/ND 3 at Cu (111)
J Manz, P Saalfrank, B Schmidt
Journal of the Chemical Society, Faraday Transactions 93 (5), 957-967, 1997
461997
Structural transitions and thermally averaged infrared spectra of small methanol clusters
U Buck, B Schmidt, JG Siebers
The Journal of chemical physics 99 (12), 9428-9437, 1993
461993
Calcium Ions in Aqueous Solutions: Accurate Force Field Description Aided by Ab Initio Molecular Dynamics and Neutron Scattering
T Martinek, E Duboué-Dijon, PE Timr, Stepan, Mason, K Baxova, ...
Journal of Chemical Physics 148 (22), 222813, 2018
442018
Methane-rare gas interaction potentials from scattering experiments
G Liuti, F Pirani, U Buck, B Schmidt
Chemical physics 126 (1), 1-6, 1988
431988
Ab Initio Molecular Dynamics Approach to a Quantitative Description of Ion Pairing in Water
E Pluhařová, O Marsalek, B Schmidt, P Jungwirth
The Journal of Physical Chemistry Letters 4 (23), 4177-4181, 2013
422013
A reflection principle for the control of molecular photodissociation in solids: model simulation for F2 in Ar
RB Gerber, MV Korolkov, J Manz, MY Niv, B Schmidt
Chemical Physics Letters 327 (1), 76-84, 2000
402000
Quantum dynamics of HF photodissociation in icosahedral Ar 12 HF clusters: rotational control of the hydrogen atom cage exit
B Schmidt
Chemical physics letters 301 (3), 207-216, 1999
391999
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Artikler 1–20