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An adaptive, kink-based path integral formalism is used to calculate the ground state energies of the atoms He-Ne. The method uses an adaptive scheme to virtually eliminate the sign difficulties. This is done by using a Monte Carlo scheme…

Chemical Physics · Physics 2009-11-07 Randall W. Hall

Mean-field molecular dynamics based on path integrals is used to approximate canonical quantum observables for particle systems consisting of nuclei and electrons. A computational bottleneck is the sampling from the Gibbs density of the…

Numerical Analysis · Mathematics 2023-11-30 Xin Huang , Petr Plechac , Mattias Sandberg , Anders Szepessy

A kink-based path integral method, previously applied to atomic systems, is modified and used to study molecular systems. The method allows the simultaneous evolution of atomic and electronic degrees of freedom. Results for CH$_4 $, NH$_3…

Chemical Physics · Physics 2009-11-11 Randall W. Hall

Feynman's path integral approach is studied in the framework of the Wigner-Dunkl deformation of quantum mechanics. We start with reviewing some basics from Dunkl theory and investigate the time evolution of a Gaussian wave packet, which…

Mathematical Physics · Physics 2024-01-30 Georg Junker

We consider Feynman's path integral approach to quantum mechanics with a noncommutativity in position and momentum sectors of the phase space. We show that a quantum-mechanical system with this kind of noncommutativity is equivalent to the…

High Energy Physics - Theory · Physics 2007-05-23 Branko Dragovich , Zoran Rakic

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H$_{2}$O, N$_2$, and F$_2$ molecules. The method is based on Feynman's path…

Computational Physics · Physics 2016-01-20 Xiaoyao Ma , Randall W. Hall , Frank Loffler , Karol Kowalski , Kiran Bhaskaran-Nair , Mark Jarrell , Juana Moreno

The path integral formulation of quantum mechanical problems including fermions is often affected by a severe numerical sign problem. We show how such a sign problem can be alleviated by a judiciously chosen constant imaginary offset to the…

Strongly Correlated Electrons · Physics 2024-10-23 Christoph Gäntgen , Evan Berkowitz , Thomas Luu , Johann Ostmeyer , Marcel Rodekamp

The derivation of path integrals is reconsidered. It is shown that the expression for the discretized action is not unique, and the path integration domain can be deformed so that at least Gaussian path integrals become probabillistic. This…

Quantum Physics · Physics 2016-10-28 Evgeny A. Polyakov , Alexey N. Rubtsov

Inspired by a recent work that proposes using coherent states to evaluate the Feynman kernel in noncommutative space, we provide an independent formulation of the path-integral approach for quantum mechanics on the Moyal plane, with the…

High Energy Physics - Theory · Physics 2009-11-11 H. S. Tan

Path integral Monte Carlo (PIMC) simulations have become an important tool for the investigation of the statistical mechanics of quantum systems. I discuss some of the history of applying the Monte Carlo method to non-relativistic quantum…

History and Philosophy of Physics · Physics 2016-11-23 Tilman Sauer

Work belongs to the most basic notions in thermodynamics but it is not well understood in quantum systems, especially in open quantum systems. By introducing a novel concept of work functional along individual Feynman path, we invent a new…

Statistical Mechanics · Physics 2018-07-30 Ken Funo , H. T. Quan

Although the path-integral formalism is known to be equivalent to conventional quantum mechanics, it is not generally obvious how to implement path-based calculations for multi-qubit entangled states. Whether one takes the formal view of…

Quantum Physics · Physics 2022-06-08 Narayani Tyagi , Ken Wharton

We here put forward a new path-integral over Hilbert space and show that it reproduces quantum mechanics exactly. This approach works by optimizing the generating functional under a variation of the final state; it is hence an example of a…

Quantum Physics · Physics 2022-03-18 Sandro Donadi , Sabine Hossenfelder

It is apparent to anyone who thinks about it that, to a large degree, the basic concepts of Newtonian physics are quite intuitive, but quantum mechanics is not. My purpose in this talk is to introduce you to a new, much more intuitive way…

Quantum Physics · Physics 2009-02-12 Marvin Weinstein

We propose new approach to numerical study of quantum spin systems. Our method is based on a fact that one can use any set of states for the path integral as long as it is complete. We apply our method to one-dimensional quantum spin system…

Condensed Matter · Physics 2009-10-22 Tomo Munehisa , Yasuko Munehisa

In low-temperature high-density plasmas quantum effects of the electrons are becoming increasingly important. This requires the development of new theoretical and computational tools. Quantum Monte Carlo methods are among the most…

Statistical Mechanics · Physics 2014-08-12 T. Schoof , S. Groth , M. Bonitz

Finding the ground state of a quantum mechanical system can be formulated as an optimal control problem. In this formulation, the drift of the optimally controlled process is chosen to match the distribution of paths in the Feynman--Kac…

Quantum Physics · Physics 2020-06-17 Ariel Barr , Willem Gispen , Austen Lamacraft

Applicability of Feynman path integral approach to numerical simulations of quantum dynamics in real time domain is examined. Coherent quantum dynamics is demonstrated with one dimensional test cases (quantum dot models) and performance of…

Computational Physics · Physics 2023-07-19 Ilkka Ruokosenmäki , Tapio T. Rantala

In this paper we introduce a new procedure on precise analysis of various physical manifestations in superconducting Qubits using the concept of Feynman path integral in quantum mechanics and quantum field theory. Three specific problem are…

Quantum Physics · Physics 2014-03-27 Ali Izadi Rad , Hesam Zandi , Mehdi Fardmanesh

We propose a natural, parameter-free, discrete-variable formulation of Feynman path integrals. We show that for discrete-variable quantum systems, Feynman path integrals take the form of walks on the graph whose weighted adjacency matrix is…

Quantum Physics · Physics 2025-12-08 Amir Kalev , Itay Hen
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