TY - JOUR
T1 - On the approximation of the von-Neumann equation in the semi-classical limit. Part I
T2 - Numerical algorithm
AU - Filbet, Francis
AU - Golse, François
N1 - Publisher Copyright:
© 2025 Elsevier Inc.
PY - 2025/4/15
Y1 - 2025/4/15
N2 - We propose a new approach to discretize the von Neumann equation, which is efficient in the semi-classical limit. This method is first based on the so called Weyl's variables to address the stiffness associated with the equation. Then, by applying a truncated Hermite expansion of the density operator, we successfully handle this stiffness. Additionally, we develop a finite volume approximation for practical implementation and conduct numerical simulations to illustrate the benefits of our approach. This asymptotic preserving numerical approximation, combined with the use of Hermite polynomials, provides a useful tool for solving the von Neumann equation in all regimes, near classical or not.
AB - We propose a new approach to discretize the von Neumann equation, which is efficient in the semi-classical limit. This method is first based on the so called Weyl's variables to address the stiffness associated with the equation. Then, by applying a truncated Hermite expansion of the density operator, we successfully handle this stiffness. Additionally, we develop a finite volume approximation for practical implementation and conduct numerical simulations to illustrate the benefits of our approach. This asymptotic preserving numerical approximation, combined with the use of Hermite polynomials, provides a useful tool for solving the von Neumann equation in all regimes, near classical or not.
KW - Hermite polynomial expansion
KW - Quantum mechanics
KW - Von Neumann equation
UR - https://www.scopus.com/pages/publications/85216864936
U2 - 10.1016/j.jcp.2025.113810
DO - 10.1016/j.jcp.2025.113810
M3 - Article
AN - SCOPUS:85216864936
SN - 0021-9991
VL - 527
JO - Journal of Computational Physics
JF - Journal of Computational Physics
M1 - 113810
ER -