Dimensional Reductions for the Computation of Time–Dependent Quantum Expectations

DOI10.1137/100788148zbMath1230.65112arXiv1003.3395OpenAlexW1994506835MaRDI QIDQ3103555

Giacomo Mazzi, Benedict J. Leimkuhler

Publication date: 7 December 2011

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1003.3395

zbMATH Keywords

numerical examplesdimension reductionSchrödinger equationdensity matrixmatrix exponentialnuclear magnetic resonanceKrylov subspaceChebyshev expansionLiouville-von Neumann equationevaluation of the expectation valuesmixed quantum systemnuclear spin system

Mathematics Subject Classification ID

Nuclear physics (81V35) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) NLS equations (nonlinear Schrödinger equations) (35Q55) Spectral, collocation and related methods for initial value and initial-boundary value problems involving PDEs (65M70) Applications to the sciences (65Z05)

Related Items (2)

An efficient algorithm based on splitting for the time integration of the Schrödinger equation ⋮ Electronic Density of States for Incommensurate Layers

Uses Software

• Expokit
• ARPACK
• SPINEVOLUTION

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