B. Schmidt

发表

Spin–orbit coupled molecular quantum magnetism realized in inorganic solid

K.-Y. Choi, Manuel Brando, Sang-Youn Park, 2016, Nature Communications.

Solution of the Time-Dependent Schrödinger Equation for Highly Symmetric Potentials

B. Schmidt, P. Ždánská, Burkhard Schmidt, 2000 .

Frustrated two dimensional quantum magnets

B. Schmidt, P. Thalmeier, 2017, 1710.04399.

The J1-J2 Model on the Anisotropic Triangular and the Square Lattice: Similarities and Differences

B. Schmidt, P. Thalmeier, 2015 .

Quantum Effects in Uniform and Staggered Moment of Frustrated Quasi-2D Antiferromagnets

B. Schmidt, P. Thalmeier, M. Siahatgar, 2012 .

Quantum-classical Liouville approach to molecular dynamics: Surface hopping Gaussian phase-space packets

I. Horenko, C. Schütte, B. Schmidt, 2002 .

Fully adaptive propagation of the quantum-classical Liouville equation.

I. Horenko, C. Schütte, M. Weiser, 2004, The Journal of chemical physics.

Model reduction of controlled Fokker–Planck and Liouville–von Neumann equations

P. Benner, C. Hartmann, T. Breiten, 2017, Journal of Computational Dynamics.

Methane-Rare Gas Interaction Potentials from Scattering Experiments

F. Pirani, B. Schmidt, U. Buck, 1988 .

A Theoretical Model for Molecules Interacting with Intense Laser Pulses

Illia Horenko, Christof Schütte, I. Horenko, 2001 .

Quantum-Classical Liouville Approach to Molecular Dynamics

I. Horenko, C. Schütte, B. Schmidt, 2002 .

Time-dependent alignment of molecules trapped in octahedral crystal fields.

B. Schmidt, N. Schwentner, T. Kiljunen, 2006, The Journal of chemical physics.

Dynamics of electron localization in warm versus cold water clusters.

F. Uhlig, O. Marsalek, B. Schmidt, 2010, Physical review letters.

Aligning and orienting molecules trapped in octahedral crystal fields (11 pages)

B. Schmidt, N. Schwentner, T. Kiljunen, 2005 .

Conditional quasi-exact solvability of the quantum planar pendulum and of its anti-isospectral hyperbolic counterpart

B. Schmidt, Simon Becker, B. Friedrich, 2017, 1702.08733.

Two-dimensional frustrated spin systems in high magnetic fields

B. Schmidt, P. Thalmeier, N. Shannon, 2006, cond-mat/0609381.

QUANTUM DYNAMICAL ASPECTS OF ROTATIONALLY AND VIBRATIONALLY MEDIATED PHOTOCHEMISTRY IN MATRICES AND AT SURFACES HCL/DCL IN AR AND NH3/ND3 AT CU(111)

B. Schmidt, P. Saalfrank, J. Manz, 1997 .

Evidence for hydrodynamic electron flow in PdCoO2

B. Schmidt, P. Moll, A. Mackenzie, 2015, Science.

Structure and photodissociation spectra of mixed ethene–acetone clusters

B. Schmidt, U. Buck, M. Hobein, 1993 .

A perturbation approach to predict infrared spectra of small molecular clusters applied to methanol

B. Schmidt, U. Buck, 1993 .

Mapping atomic trapping in an optical superlattice onto the libration of a planar rotor in electric fields

B. Schmidt, B. Friedrich, J. P'erez-R'ios, 2022, New Journal of Physics.

Theoretical Model for the Semi-Metal Yb4As3

P. Fulde, B. Schmidt, P. Thalmeier, 1995, cond-mat/9504078.

Hydrogen forms in water by proton transfer to a distorted electron.

C. Schütte, J. VandeVondele, O. Marsalek, 2010, The journal of physical chemistry. B.

Hydrodynamic Electron Flow and Hall Viscosity.

B. Schmidt, Thomas Scaffidi, A. Mackenzie, 2017, Physical review letters.

THERMODYNAMIC STUDIES OF THE FIELD-INDUCED GAP IN THE QUASI-ONE-DIMENSIONAL S = 1/2 ANTIFERROMAGNET Yb4As3

B. Schmidt, S. Zherlitsyn, F. Steglich, 2002 .

Preference of cluster isomers as a result of quantum delocalization: Potential energy surfaces and intermolecular vibrational states of Ne⋯HBr, Ne⋯HI, and HI(Ar) n (n=1-6)

B. Schmidt, P. Jungwirth, P. Slavíček, 2001 .

Case study of bilayered spin- 12 square lattice compound VO(HCOO)2·(H2O)

M. Baenitz, B. Schmidt, S. Guchhait, 2019, Physical Review Materials.

Two- and three-body forces in the interaction of He atoms with Xe overlayers adsorbed on (0001) graphite

R. A. Aziz, G. Scoles, H. Jónsson, 1989 .

From torsional spectra to Hamiltonians and dynamics: effects of coupled bright and dark states of 9-(N-carbazolyl)-anthracene

B. Schmidt, J. Manz, B. Schmidt, 1995 .

Time-resolved dual fluorescence of 1-phenylpyrrole in acetonitrile: molecular dynamics simulations of solvent response to twisted intramolecular charge transfer

B. Schmidt, J. Manz, B. Proppe, 2002 .

Nonadiabatic effects on peptide vibrational dynamics induced by conformational changes.

Christof Schütte, C. Schütte, J. Antony, 2005, The Journal of chemical physics.

Finite temperature properties and frustrated ferromagnetism in a square lattice Heisenberg model

B. Schmidt, P. Thalmeier, K. Penc, 2003, cond-mat/0312160.

Néel temperature and reentrant H -T phase diagram of quasi-two-dimensional frustrated magnets

B. Schmidt, P. Thalmeier, 2017, 1712.06282.

Magneto‐Structural Properties of the Layered Quasi‐2D Triangular‐Lattice Antiferromagnets Cs2CuCl4−xBrx for x = 0, 1, 2, and 4

R. Valentí, B. Schmidt, C. Krellner, 2019, physica status solidi (b).

Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer.

J. Antony, B. Schmidt, G. Meijer, 2005, The Journal of chemical physics.

Thermodynamics of anisotropic triangular magnets with ferro- and antiferromagnetic exchange

B. Schmidt, P. Thalmeier, Burkhard Schmidt, 2015, 1506.09104.

Anisotropic field-induced ordering in the triangular-lattice quantum spin liquid NaYbSe2

J. Wosnitza, M. Baenitz, B. Schmidt, 2019, Physical Review B.

Supersymmetry and eigensurface topology of the planar quantum pendulum

B. Schmidt, B. Friedrich, 2014, Front. Physics.

Coherence and control of molecular dynamics in rare gas matrices

P. Hamm, H. Ibrahim, B. Schmidt, 2007 .

CePdAl - a Kondo lattice with partial frustration

B. Schmidt, B. Pedersen, P. Gegenwart, 2016, 1609.01551.

Low-energy excitations of the semimetallic one-dimensional S=1/2 antiferromagnet Yb4As3

B. Schmidt, A. Yaresko, S. Paschen, 2001 .

Putative spin-nematic phase in BaCdVO(PO4)2

C. Pfleiderer, B. Schmidt, A. Senyshyn, 2019, Physical Review B.

Magnetocaloric effect in the frustrated square lattice J1-J2 model

B. Schmidt, P. Thalmeier, N. Shannon, 2007, 0705.3094.

Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics.

B. Schmidt, P. Jungwirth, C. Mundy, 2014, The journal of physical chemistry letters.

Charge ordering and onedimensional magnetism in Yb4As3

B. Schmidt, F. Steglich, P. Gegenwart, 2002 .

Quantum dynamics of a polar rotor acted upon by an electric rectangular pulse of variable duration

B. Schmidt, B. Friedrich, M. Karra, 2021, Molecular Physics.

MAGNON AND SOLITON EXCITATIONS IN THE CARRIER-POOR, ONE-DIMENSIONAL S = 1/2 ANTIFERROMAGNET Yb4As3

M. Köppen, B. Schmidt, P. Thalmeier, 2000 .

Excitations in spin chains and specific-heat anomalies in Yb4As3

P. Fulde, B. Schmidt, P. Thalmeier, 1996, cond-mat/9603055.

Optical resolution of oriented enantiomers via photodissociation: quantum model simulations for H2POSD.

L. González, B. Schmidt, J. Manz, 2005, Physical chemistry chemical physics : PCCP.

Maximum tunneling velocities in symmetric double well potentials

B. Schmidt, J. Manz, Yonggang Yang, 2014, 1404.2244.

Symmetric tops in combined electric fields: Conditional quasisolvability via the quantum Hamilton-Jacobi theory

B. Schmidt, Simon Becker, B. Friedrich, 2018, Physical Review A.

WavePacket: A Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations

Ulf Lorenz, Burkhard Schmidt, B. Schmidt, 2016, Comput. Phys. Commun..

Photolysis of hydrogen chloride embedded in the first argon solvation shell: Rotational control and quantum dynamics of photofragments

B. Schmidt, P. Jungwirth, P. Ždánská, 1999 .

SOLVATION EFFECTS ON ASSOCIATION REACTIONS IN MICROCLUSTERS : CLASSICAL TRAJECTORY STUDY OF H+CL(AR)N

B. Schmidt, R. Gerber, 1994 .

Vibrationally state-selective laser pulse control of electronic branching in OH (X/A) photoassociation

B. Schmidt, M. Korolkov, 1998 .

EFFECT OF ROTATIONS AND SHAPE RESONANCES ON PHOTOASSOCIATION AND PHOTOACCELERATION BY SHORT INFRARED LASER PULSES

B. Schmidt, J. Manz, P. Backhaus, 1998 .

Femtosecond quantum dynamics of photoassociation reactions: the exciplex formation of mercury

B. Schmidt, P. Backhaus, 1997 .

Quantum molecular dynamics driven by short and intense light pulses: Towards the limits of the Floquet picture

Burkhard Schmidt, Mikhail V. Korolkov, B. Schmidt, 2004, Comput. Phys. Commun..

Spin–orbit induced association under ultrafast laser pulse control

B. Schmidt, M. Korolkov, 2002 .

Nonadiabatic Effects in the Photodissociation and Electronic Spectroscopy of HMn(CO)3(dab): Quantum Wave Packet Dynamics Based on ab Initio Potentials

B. Schmidt, P. Saalfrank, C. Daniel, 1996 .

Quantum ignition of intramolecular rotation by means of IR + UV laser pulses

Leticia González, Yuichi Fujimura, Jörn Manz, 2004 .

Frustrated local-moment models for iron pnictide magnetism

B. Schmidt, P. Thalmeier, M. Siahatgar, 2009, 0911.5664.

Field-induced staggered moment stabilization in frustrated quantum magnets

B. Schmidt, P. Thalmeier, M. Siahatgar, 2013 .

Magnetic Field Effects in Frustrated Low-Dimensional Magnets

B. Schmidt, P. Thalmeier, M. Siahatgar, 2012 .

Ordered moment in the anisotropic and frustrated square lattice Heisenberg model

B. Schmidt, P. Thalmeier, M. Siahatgar, 2011, 1101.1181.

Quantum effects in magnetization of J1-J2 square lattice antiferromagnet

B. Schmidt, P. Thalmeier, N. Shannon, 2008 .

Staggered-moment dependence on field-tuned quantum fluctuations in two-dimensional frustrated antiferromagnets

B. Schmidt, P. Thalmeier, M. Siahatgar, 2011, 1108.1086.

Exploring the spin-1/2 frustrated square lattice model with high-field magnetization studies

B. Schmidt, C. Geibel, A. Tsirlin, 2009, 0907.0391.

Quantum dynamics of coupled excitons and phonons in chain-like systems: tensor train approaches and higher-order propagators

R. Klein, B. Schmidt, S. Matera, 2023, 2302.03568.

State‐selective control for vibrational excitation and dissociation of diatomic molecules with shaped ultrashort infrared laser pulses

G. Paramonov, B. Schmidt, G. K. Paramonov, 1996 .

Infrared picosecond laser control of acceleration of neutral atoms: model simulations for the collision pair O + H

B. Schmidt, M. Korolkov, 1997 .

Vector correlations in rotationally inelastic molecular collisions

T. Möller, M. Lemeshko, B. Schmidt, 2011 .

Quantum dynamics of a plane pendulum

B. Schmidt, M. Leibscher, 2009 .

Topology of surfaces for molecular Stark energy, alignment, and orientation generated by combined permanent and induced electric dipole interactions.

B. Schmidt, B. Friedrich, 2013, The Journal of chemical physics.

Quantum dynamics of a planar rotor driven by suddenly switched combined aligning and orienting interactions

B. Schmidt, B. Friedrich, M. Mirahmadi, 2021, New Journal of Physics.

Laser-induced alignment and anti-alignment of rotationally excited molecules.

B. Schmidt, N. Schwentner, N. Owschimikow, 2011, Physical chemistry chemical physics : PCCP.

State selection in nonresonantly excited wave packets by tuning from nonadiabatic to adiabatic interaction

B. Schmidt, N. Schwentner, N. Owschimikow, 2009 .

Intense-field alignment of molecules confined in octahedral fields.

B. Schmidt, N. Schwentner, T. Kiljunen, 2005, Physical review letters.

The two-dimensional frustrated Heisenberg model on the orthorhombic lattice

B. Schmidt, P. Thalmeier, M. Siahatgar, 2009, 0908.3442.

High field properties of S = 1/2 square lattice J1-J2 magnetic compounds

B. Schmidt, P. Thalmeier, N. Shannon, 2009 .

Frustrated Magnetism in Vanadium Oxides

B. Schmidt, T. Takimoto, P. Thalmeier, 2009 .

Chain segmentation and the origin of low-T magnetic moments in quasi one-dimensional Ba2V3O9

B. Schmidt, P. Thalmeier, V. Yushankhai, 2004 .

Moment screening in the correlated Kondo lattice model

B. Schmidt, P. Thalmeier, M. Siahatgar, 2012, 1209.3670.

Charge ordering and heavy fermions in the semimetal Yb4As3

P. Fulde, B. Schmidt, P. Thalmeier, 1996 .

Rotationally adiabatic pair interactions of para- and ortho-hydrogen with the halogen molecules F2, Cl2, and Br2.

B. Paulus, B. Schmidt, A. Accardi, 2014, The Journal of chemical physics.

RETRACTED ARTICLE: Quantum effects on translation and rotation of molecular chlorine in solid para-hydrogen

B. Schmidt, A. Accardi, 2014 .

Electron spin resonance on the spin-1/2 triangular magnet NaYbS2

M. Baenitz, B. Schmidt, T. Doert, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Curvature‐dependent adsorption of water inside and outside armchair carbon nanotubes

Beate Paulus, Shujuan Li, Burkhard Schmidt, 2016, J. Comput. Chem..

Magnetic susceptibility in quasi one-dimensional Baa2V3O9: chain segmentation versus the staggered field effect

B. Schmidt, P. Thalmeier, V. Yushankhai, 2002, cond-mat/0210204.

Magnetic moment screening in the correlated Kondo lattice model

B. Schmidt, P. Thalmeier, M. Siahatgar, 2013 .

Finite temperature properties of Kondo lattice-type model with exact diagonalization

B. Schmidt, P. Thalmeier, I. Zerec, 2006 .

Field dependence of XY-Behavior in frustrated S = 1/2 Square Lattices

B. Schmidt, C. Geibel, E. Kaul, 2014 .

Kondo lattice model studied with the finite temperature Lanczos method

B. Schmidt, P. Thalmeier, I. Zerec, 2006, cond-mat/0603021.

Third-order magnetic susceptibility of the frustrated square-lattice antiferromagnet

B. Schmidt, P. Thalmeier, 2004, cond-mat/0406284.

Multidimensional classical Liouville dynamics with quantum initial conditions

Illia Horenko, Christof Schütte, I. Horenko, 2002 .

A reflection principle for the control of molecular photodissociation in solids: model simulation for F2 in Ar

M. Niv, B. Schmidt, R. Gerber, 2000 .

Quantum dynamics of HF photodissociation in icosahedral Ar12HF clusters: rotational control of the hydrogen atom cage exit

B. Schmidt, 1999 .

The structure of C2H4 clusters from theoretical interaction potentials and vibrational predissociation data

R. Ahlrichs, B. Schmidt, U. Buck, 1990 .

Topological paramagnetic excitons of localized f electrons on the honeycomb lattice

B. Schmidt, P. Thalmeier, A. Akbari, 2023, 2303.17975.

Replica exchange MD simulations of two-dimensional water in graphene nanocapillaries: rhombic versus square structures, proton ordering, and phase transitions.

B. Schmidt, Shujuan Li, 2019, Physical chemistry chemical physics : PCCP.

Molecular dynamics simulations of proton-ordered water confined in low-diameter carbon nanotubes.

B. Schmidt, Shujuan Li, 2015, Physical chemistry chemical physics : PCCP.

Anisotropy of the water-carbon interaction: molecular simulations of water in low-diameter carbon nanotubes.

B. Schmidt, G. Pérez-Hernández, 2013, Physical chemistry chemical physics : PCCP.

Cluster Growth from the Gas Phase: Associative Collisions of Small Alkali Halide Aggregates

R. Berry, B. Schmidt, B. Meissner, 1996 .

Vibrationally resolved spectra from short-time quantum molecular dynamics by the filter-diagonalization method

N. Moiseyev, B. Schmidt, P. Jungwirth, 1997 .

Quantum dynamics following electron photodetachment in the Ift-Ar2 complex. How good are the new separable and non-separable simulation methods?

B. Schmidt, P. Jungwirth, 1997 .

Calculation of vibrational line shifts for molecular dimers

B. Schmidt, U. Buck, 1990 .

Semiclassical hybrid approach to condensed phase molecular dynamics: application to the I2Kr17 cluster.

J. Heyda, F. Grossmann, B. Schmidt, 2012, The journal of physical chemistry. A.

Conformations and vibrational spectra of a model tripeptide: change of secondary structure upon micro-solvation.

Anouk M Rijs, Gert von Helden, B. Schmidt, 2010, Physical chemistry chemical physics : PCCP.

WaveTrain: A Python package for numerical quantum mechanics of chain-like systems based on tensor trains.

R. Klein, B. Schmidt, Patrick Gelß, 2023, The Journal of chemical physics.

WavePacket: A Matlab package for numerical quantum dynamics. III. Quantum‐classical simulations and surface hopping trajectories

Rupert Klein, Burkhard Schmidt, Leonardo Cancissu Araujo, 2019, J. Comput. Chem..

WavePacket: A Matlab package for numerical quantum dynamics.II: Open quantum systems, optimal control, and model reduction

Carsten Hartmann, Burkhard Schmidt, C. Hartmann, 2017, Comput. Phys. Commun..

Control of photoassociation yield: a quantum-dynamical study of the mercury system to explore the role of pulse duration from nanoseconds to femtoseconds

M. Dantus, B. Schmidt, P. Backhaus, 1999 .

Solving the time-independent Schrödinger equation for chains of coupled excitons and phonons using tensor trains.

R. Klein, B. Schmidt, S. Matera, 2021, Journal of Chemical Physics.

Spin fluctuations with two-dimensional XY behavior in a frustrated S=(1)/(2) square-lattice ferromagnet

B. Schmidt, C. Geibel, E. Kaul, 2013, 1305.6518.

Structural transitions and thermally averaged infrared spectra of small methanol clusters

B. Schmidt, U. Buck, J. Siebers, 1993 .

Correction to "Ab Initio Molecular Dynamics Approach to Quantitative Description of Ion Pairing in Water".

O. Marsalek, B. Schmidt, P. Jungwirth, 2015, The journal of physical chemistry letters.

Ab Initio Molecular Dynamics Approach to a Quantitative Description of Ion Pairing in Water

O. Marsalek, B. Schmidt, P. Jungwirth, 2013 .

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering.

Stepán Timr, B. Schmidt, P. Jungwirth, 2018, The Journal of chemical physics.

Vibrational overtones and rotational structure of HCl in rare gas matrices

M. Martins, B. Schmidt, N. Schwentner, 2002 .

An explicit and symplectic integrator for quantum-classical molecular dynamics

Christof Schütte, Folkmar Bornemann, Peter Nettesheim, 1996 .

Dynamics of polar polarizable rotors acted upon by unipolar electromagnetic pulses: From the sudden to the adiabatic regime.

B. Schmidt, B. Friedrich, M. Mirahmadi, 2018, The Journal of chemical physics.

Quantum fluctuations in anisotropic triangular lattices with ferromagnetic and antiferromagnetic exchange

B. Schmidt, P. Thalmeier, 2014, 1404.4523.

Dimension reduction by balanced truncation: application to light-induced control of open quantum systems.

Carsten Hartmann, Christof Schütte, C. Schütte, 2011, The Journal of chemical physics.

Frequency Shifts in Infrared Spectra of Ethylene Clusters

B. Schmidt, U. Buck, 1994 .

Topological paramagnetic excitons of localized f electrons on the honeycomb lattice

B. Schmidt, P. Thalmeier, A. Akbari, 2023, Physical Review B.

Adaptive spectral clustering with application to tripeptide conformation analysis.

Fiete Haack, Susanna Röblitz, Konstantin Fackeldey, 2013, The Journal of chemical physics.

Metastable Conformational Structure and Dynamics: Peptides between Gas Phase and Aqueous Solution

Illia Horenko, I. Horenko, C. Schütte, 2007 .

Vibrationally state-selective photoassociation by infrared sub-picosecond laserr pulses: model simulations for O + H → OH(ν)

G. Paramonov, B. Schmidt, J. Manz, 1996 .

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.

C. Schütte, J. VandeVondele, B. Schmidt, 2008, The journal of physical chemistry. A.

Evidence for hydrodynamic electron flow in PdCoO2

B. Schmidt, P. Moll, A. Mackenzie, 2015, Science.

Spin correlations and exchange in square-lattice frustrated ferromagnets

B. Schmidt, C. Geibel, P. Deen, 2009, 0909.0702.

WavePacket: A Matlab package for numerical quantum dynamics. III. Quantum‐classical simulations and surface hopping trajectories

R. Klein, B. Schmidt, L. C. Araujo, 2019, J. Comput. Chem..

WavePacket: A Matlab package for numerical quantum dynamics.II: Open quantum systems, optimal control, and model reduction

C. Hartmann, B. Schmidt, 2017, Comput. Phys. Commun..

WavePacket: A Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations

B. Schmidt, U. Lorenz, 2016, Comput. Phys. Commun..

Vibrational line shifts of hydrogen halides in a rare gas environment: HF/DF and HC1/DC1 in Ar matrices and clusters

B. Schmidt, P. Jungwirth, 1996 .

Quantum Dynamics and Spectroscopy of Electron Photodetachment in Cl-···H2O and Cl-···D2O Complexes

B. Schmidt, P. Jungwirth, M. Mucha, 2002 .