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Computational applications of the many-interacting-worlds interpretation of quantum mechanics.
- Source :
-
Physical Review E . May2018, Vol. 97 Issue 5, p1-1. 1p. - Publication Year :
- 2018
-
Abstract
- While historically many quantum-mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a great deal of interest has arisen in quantum effects in nuclear dynamics as well. Due to the computational difficulty of solving the Schrödinger equation in full, these effects are often treated with approximate methods. In this paper, we present an algorithm to tackle these problems using an extension to the many-interacting-worlds approach to quantum mechanics. This technique uses a kernel function to rebuild the probability density, and therefore, in contrast with the approximation presented in the original paper, it can be naturally extended to n-dimensional systems. This opens up the possibility of performing quantum ground-state searches with steepest-descent methods, and it could potentially lead to real-time quantum molecular-dynamics simulations. The behavior of the algorithm is studied in different potentials and numbers of dimensions and compared both to the original approach and to exact Schrödinger equation solutions whenever possible. [ABSTRACT FROM AUTHOR]
- Subjects :
- *QUANTUM mechanics
*MOLECULAR dynamics
*KERNEL functions
*MATHEMATICAL models
Subjects
Details
- Language :
- English
- ISSN :
- 24700045
- Volume :
- 97
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Physical Review E
- Publication Type :
- Academic Journal
- Accession number :
- 130004913
- Full Text :
- https://doi.org/10.1103/PhysRevE.97.053311