Quantum Dynamics in Phase Space using Projected von Neumann Bases

被引：13

作者：

Machnes, Shai ^{[1
]}

Assemat, Elie ^{[1
]}

Larsson, Henrik R. ^{[2
]}

Tannor, David J. ^{[1
]}

机构：

[1] Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel

[2] Univ Kiel, Inst Phys Chem, Olshausenstr 40, D-24098 Kiel, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2016年 / 120卷 / 19期

基金：

以色列科学基金会;

关键词：

REPRESENTATIONS; SET;

D O I：

10.1021/acs.jpca.5b12370

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We describe the mathematical underpinnings of the biorthogonal von Neumann method for quantum mechanical simulations (PvB). In particular, we present a detailed discussion of the important issue of nonorthogonal projection onto subspaces of biorthogonal bases, and how this differs from orthogonal projection. We present various representations of the Schrodinger equation in the reduced basis and discuss their relative merits. We conclude with illustrative examples and a discussion of the outlook and challenges ahead for the PvB representation.

引用

页码：3296 / 3308

页数：13

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