scholarly journals Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets

2017 ◽  
Vol 13 (7) ◽  
pp. 3085-3096 ◽  
Author(s):  
Maximilian A. C. Saller ◽  
Scott Habershon
Keyword(s):  
Quantum Dynamics ◽  
Basis Sets ◽  
Short Time

Optimization of width parameters for quantum dynamics with frozen Gaussian basis sets

2010 ◽  
Vol 370 (1-3) ◽  
pp. 70-77 ◽  
Author(s):  
Alexis L. Thompson ◽  
Chutintorn Punwong ◽  
Todd J. Martínez
Keyword(s):  
Quantum Dynamics ◽  
Basis Sets ◽  
Gaussian Basis Sets

scholarly journals Efficient simulation of sparse Markovian quantum dynamics

2017 ◽  
Vol 17 (11&12) ◽  
pp. 901-947 ◽  
Author(s):  
Andrew M. Childs ◽  
Tongyang Li
Keyword(s):  
Quantum Dynamics ◽  
Quantum Algorithms ◽  
Open Quantum Systems ◽  
Hamiltonian Dynamics ◽  
Quantum Algorithm ◽  
Quantum Systems ◽  
Efficient Simulation ◽  
Box Models ◽  
Short Time ◽  
Black Box Models

Quantum algorithms for simulating Hamiltonian dynamics have been extensively developed, but there has been much less work on quantum algorithms for simulating the dynamics of open quantum systems. We give the first efficient quantum algorithms for simulating Markovian quantum dynamics generated by Lindbladians that are not necessarily local. We introduce two approaches to simulating sparse Lindbladians. First, we show how to simulate Lindbladians that act within small invariant subspaces using a quantum algorithm to implement sparse Stinespring isometries. Second, we develop a method for simulating sparse Lindblad operators by concatenating a sequence of short-time evolutions. We also show limitations on Lindbladian simulation by proving a no–fast-forwarding theorem for simulating sparse Lindbladians in black-box models.

A new potential energy surface of the OH2+ system and state-to-state quantum dynamics studies of the O+ + H2 reaction

2018 ◽  
Vol 20 (2) ◽  
pp. 1039-1050 ◽  
Author(s):  
Wentao Li ◽  
Jiuchuang Yuan ◽  
Meiling Yuan ◽  
Yong Zhang ◽  
Minghai Yao ◽  
...  
Keyword(s):  
Neural Network ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Configuration Interaction ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Basis Sets ◽  
Interaction Method ◽  
Configuration Interaction Method ◽  
Network Method

A new global potential energy surface of the O+ + H2 system was constructed with neural network method, using about 63000 ab initio points, which were calculated by employing the multi-reference configuration interaction method with aug-cc-pVTZ and aug-cc-pVQZ basis sets.

Short-time quantum dynamics of sharp boundaries potentials

2015 ◽  
Vol 459 ◽  
pp. 62-68
Author(s):  
Er'el Granot ◽  
Avi Marchewka
Keyword(s):  
Quantum Dynamics ◽  
Time Quantum ◽  
Short Time

Long and short time quantum dynamics: II. Kinetic regime

2005 ◽  
Vol 29 (1-2) ◽  
pp. 175-195 ◽  
Author(s):  
Václav Špička ◽  
Bedřich Velický ◽  
Anděla Kalvová
Keyword(s):  
Quantum Dynamics ◽  
Kinetic Regime ◽  
Time Quantum ◽  
Short Time
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