Quantum dynamics simulation of the ultrafast photoionization of Li2

2001 ◽  
Vol 114 (3) ◽  
pp. 1259-1271 ◽  
Author(s):  
Lorenzo Pesce ◽  
Zohar Amitay ◽  
Radoslaw Uberna ◽  
Stephen R. Leone ◽  
Mark Ratner ◽  
...  
Keyword(s):  
Quantum Dynamics ◽  
Dynamics Simulation

New method of quantum dynamics simulation based on the quantum tomography

2003 ◽  
Vol 319 (3-4) ◽  
pp. 217-224 ◽  
Author(s):  
A.S. Arkhipov ◽  
Yu.E. Lozovik
Keyword(s):  
Quantum Dynamics ◽  
Quantum Tomography ◽  
New Method ◽  
Dynamics Simulation ◽  
Simulation Based

scholarly journals Open Quantum Dynamics Theory on the Basis of Periodical System-Bath Model for Discrete Wigner Function

2021 ◽  
Author(s):  
Yuki Iwamoto ◽  
Yoshitaka Tanimura
Keyword(s):  
Distribution Function ◽  
Quantum Dynamics ◽  
Degrees Of Freedom ◽  
Wigner Distribution ◽  
Equations Of Motion ◽  
Heat Bath ◽  
Planck Equation ◽  
Mesh Size ◽  
Dynamics Simulation ◽  
Open Quantum

Abstract Discretizing distribution function in a phase space for an efficient quantum dynamics simulation is non-trivial challenge, in particular for a case that a system is further coupled to environmental degrees of freedom. Such open quantum dynamics is described by a reduced equation of motion (REOM) most notably by a quantum Fokker-Planck equation (QFPE) for a Wigner distribution function (WDF). To develop a discretization scheme that is stable for numerical simulations from the REOM approach, we find that a two-dimensional (2D) periodically invariant system-bath (PISB) model with two heat baths is an ideal platform not only for a periodical system but also for a system confined by a potential. We then derive the numerically ''exact'' hierarchical equations of motion (HEOM) for a discrete WDF in terms of periodically invariant operators in both coordinate and momentum spaces. The obtained equations can treat non-Markovian heat-bath in a non-perturbative manner at finite temperatures regardless of the mesh size. The stability of the present scheme is demonstrated in a high-temperature Markovian case by numerically integrating the discrete QFPE with by a coarse mesh for a 2D free rotor and harmonic potential systems for an initial condition that involves singularity.

Quantum dynamics simulation with approximate eigenstates

1995 ◽  
Vol 103 (15) ◽  
pp. 6665-6676 ◽  
Author(s):  
Tim H. Murphrey ◽  
Peter J. Rossky
Keyword(s):  
Quantum Dynamics ◽  
Dynamics Simulation

scholarly journals Quantum dynamics simulation of intramolecular singlet fission in covalently linked tetracene dimer

2021 ◽  
Vol 155 (19) ◽  
pp. 194101
Author(s):  
Sam Mardazad ◽  
Yihe Xu ◽  
Xuexiao Yang ◽  
Martin Grundner ◽  
Ulrich Schollwöck ◽  
...  
Keyword(s):  
Quantum Dynamics ◽  
Dynamics Simulation ◽  
Singlet Fission ◽  
Covalently Linked

scholarly journals Time-dependent unbounded Hamiltonian simulation with vector norm scaling

Quantum ◽  
2021 ◽  
Vol 5 ◽  
pp. 459
Author(s):  
Dong An ◽  
Di Fang ◽  
Lin Lin
Keyword(s):  
Quantum Dynamics ◽  
Computational Cost ◽  
Quantum Simulation ◽  
Operator Norm ◽  
Time Dependent ◽  
Dynamics Simulation ◽  
Initial Vector ◽  
Worst Case ◽  
Unitary Evolution ◽  
Vector Norm

The accuracy of quantum dynamics simulation is usually measured by the error of the unitary evolution operator in the operator norm, which in turn depends on certain norm of the Hamiltonian. For unbounded operators, after suitable discretization, the norm of the Hamiltonian can be very large, which significantly increases the simulation cost. However, the operator norm measures the worst-case error of the quantum simulation, while practical simulation concerns the error with respect to a given initial vector at hand. We demonstrate that under suitable assumptions of the Hamiltonian and the initial vector, if the error is measured in terms of the vector norm, the computational cost may not increase at all as the norm of the Hamiltonian increases using Trotter type methods. In this sense, our result outperforms all previous error bounds in the quantum simulation literature. Our result extends that of [Jahnke, Lubich, BIT Numer. Math. 2000] to the time-dependent setting. We also clarify the existence and the importance of commutator scalings of Trotter and generalized Trotter methods for time-dependent Hamiltonian simulations.

Vibronic coupling density analysis and quantum dynamics simulation for singlet fission in pentacene and its halogenated derivatives

2020 ◽  
Vol 153 (13) ◽  
pp. 134302
Author(s):  
Takanori Nagami ◽  
Takayoshi Tonami ◽  
Kenji Okada ◽  
Wataru Yoshida ◽  
Hajime Miyamoto ◽  
...  
Keyword(s):  
Quantum Dynamics ◽  
Vibronic Coupling ◽  
Dynamics Simulation ◽  
Singlet Fission ◽  
Density Analysis
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