scholarly journals Multi-layer Potfit: An accurate potential representation for efficient high-dimensional quantum dynamics

2014 ◽  
Vol 140 (1) ◽  
pp. 014106 ◽  
Author(s):  
Frank Otto
Keyword(s):  
Quantum Dynamics ◽  
High Dimensional ◽  
Potential Representation

Parallel methods for high-dimensional quantum dynamics

2010 ◽  
Vol 181 (3) ◽  
pp. 455-461 ◽  
Author(s):  
Xiao-Gang Wang ◽  
Tucker Carrington
Keyword(s):  
Quantum Dynamics ◽  
High Dimensional ◽  
Parallel Methods

Time-resolved spectra of I2 in a krypton crystal by G-MCTDH simulations: nonadiabatic dynamics, dissipation and environment driven decoherence

2020 ◽  
Vol 221 ◽  
pp. 30-58 ◽  
Author(s):  
David Picconi ◽  
Irene Burghardt
Keyword(s):  
Quantum Dynamics ◽  
Time Dependent ◽  
High Dimensional ◽  
Nonadiabatic Dynamics ◽  
Time Resolved ◽  
Pump Probe

Time- and frequency-resolved pump-probe spectra of I2 in a krypton crystal are calculated and analyzed using high-dimensional multi-state quantum dynamics by the Gaussian-based multi-configuration time-dependent Hartree (G-MCTDH) method.

scholarly journals Computing quantum dynamics in the semiclassical regime

Acta Numerica ◽  
2020 ◽  
Vol 29 ◽  
pp. 229-401
Author(s):  
Caroline Lasser ◽  
Christian Lubich
Keyword(s):  
Quantum Dynamics ◽  
Wave Packets ◽  
Time Integration ◽  
Classical Mechanics ◽  
High Dimensional ◽  
High Dimensions ◽  
Expectation Values ◽  
Direct Computation ◽  
Semiclassical Regime ◽  
Numerical Approaches

The semiclassically scaled time-dependent multi-particle Schrödinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This paper reviews and studies numerical approaches that are robust to the small semiclassical parameter. We present and analyse variationally evolving Gaussian wave packets, Hagedorn’s semiclassical wave packets, continuous superpositions of both thawed and frozen Gaussians, and Wigner function approaches to the direct computation of expectation values of observables. Making good use of classical mechanics is essential for all these approaches. The arising aspects of time integration and high-dimensional quadrature are also discussed.

Compact MCTDH Wave Functions for High-Dimensional System-Bath Quantum Dynamics

2012 ◽  
Vol 116 (46) ◽  
pp. 11406-11413 ◽  
Author(s):  
M. Bonfanti ◽  
G. F. Tantardini ◽  
K. H. Hughes ◽  
R. Martinazzo ◽  
I. Burghardt
Keyword(s):  
Quantum Dynamics ◽  
Wave Functions ◽  
High Dimensional ◽  
Dimensional System

scholarly journals Learning in quantum control: High-dimensional global optimization for noisy quantum dynamics

2017 ◽  
Vol 268 ◽  
pp. 116-126 ◽  
Author(s):  
Pantita Palittapongarnpim ◽  
Peter Wittek ◽  
Ehsan Zahedinejad ◽  
Shakib Vedaie ◽  
Barry C. Sanders
Keyword(s):  
Global Optimization ◽  
Quantum Dynamics ◽  
Quantum Control ◽  
High Dimensional

High-dimensional quantum dynamics of molecules on surfaces: a massively parallel implementation

2002 ◽  
Vol 143 (2) ◽  
pp. 162-173 ◽  
Author(s):  
S. Borowski ◽  
S. Thiel ◽  
T. Klüner ◽  
H.-J. Freund ◽  
R. Tisma ◽  
...  
Keyword(s):  
Quantum Dynamics ◽  
Parallel Implementation ◽  
Massively Parallel ◽  
High Dimensional

scholarly journals High-Dimensional Quantum Dynamics of Adsorption and Desorption ofH2at Cu(111)

1994 ◽  
Vol 73 (23) ◽  
pp. 3121-3124 ◽  
Author(s):  
Axel Gross ◽  
Bjørk Hammer ◽  
Matthias Scheffler ◽  
Wilhelm Brenig
Keyword(s):  
Quantum Dynamics ◽  
High Dimensional ◽  
Adsorption And Desorption
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