The multi-layer multi-configuration time-dependent Hartree method for bosons: Theory, implementation, and applications

被引：120

作者：

Cao, Lushuai ^{[1
,2
]}

Kroenke, Sven ^{[1
]}

Vendrell, Oriol ^{[2
,3
]}

Schmelcher, Peter ^{[1
,2
]}

机构：

[1] Univ Hamburg, Zentrum Opt Quantentechnologien, D-22761 Hamburg, Germany

[2] Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany

[3] DESY, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany

来源：

JOURNAL OF CHEMICAL PHYSICS | 2013年 / 139卷 / 13期

关键词：

POTENTIAL-ENERGY SURFACES; PROPAGATING WAVEPACKETS; PRODUCT REPRESENTATION; JOSEPHSON-JUNCTION; QUANTUM DYNAMICS; LATTICES;

D O I：

10.1063/1.4821350

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 develop the multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB), a variational numerically exact ab initio method for studying the quantum dynamics and stationary properties of general bosonic systems. ML-MCTDHB takes advantage of the permutation symmetry of identical bosons, which allows for investigations of the quantum dynamics from few to many-body systems. Moreover, the multi-layer feature enables ML-MCTDHB to describe mixed bosonic systems consisting of arbitrary many species. Multi-dimensional as well as mixed-dimensional systems can be accurately and efficiently simulated via the multi-layer expansion scheme. We provide a detailed account of the underlying theory and the corresponding implementation. We also demonstrate the superior performance by applying the method to the tunneling dynamics of bosonic ensembles in a one-dimensional double well potential, where a single-species bosonic ensemble of various correlation strengths and a weakly interacting two-species bosonic ensemble are considered. (C) 2013 AIP Publishing LLC.

引用

页数：19

共 53 条

[1] Direct observation of tunneling and nonlinear self-trapping in a single bosonic Josephson junction -: art. no. 010402 [J].

Albiez, M ;

Gati, R ;

Fölling, J ;

Hunsmann, S ;

Cristiani, M ;

Oberthaler, MK .

PHYSICAL REVIEW LETTERS, 2005, 95 (01)

[2] Bistability signatures in nonequilibrium charge transport through molecular quantum dots [J].

Albrecht, Klaus Ferdinand ;

Wang, Haobin ;

Muehlbacher, Lothar ;

Thoss, Michael ;

Komnik, Andreas .

PHYSICAL REVIEW B, 2012, 86 (08)

[3] Recursive formulation of the multiconfigurational time-dependent Hartree method for fermions, bosons and mixtures thereof in terms of one-body density operators [J].

Alon, Ofir E. ;

Streltsov, Alexej I. ;

Sakmann, Kaspar ;

Lode, Axel U. J. ;

Grond, Julian ;

Cederbaum, Lorenz S. .

CHEMICAL PHYSICS, 2012, 401 :2-14

[4] Multiconfigurational time-dependent Hartree method for mixtures consisting of two types of identical particles [J].

Alon, Ofir E. ;

Streltsov, Alexej I. ;

Cederbaum, Lorenz S. .

PHYSICAL REVIEW A, 2007, 76 (06)

[5] Many-body theory for systems with particle conversion: Extending the multiconfigurational time-dependent Hartree method [J].

Alon, Ofir E. ;

Streltsov, Alexej I. ;

Cederbaum, Lorenz S. .

PHYSICAL REVIEW A, 2009, 79 (02)

[6] Multiconfigurational time-dependent Hartree method for bosons: Many-body dynamics of bosonic systems [J].

Alon, Ofir E. ;

Streltsov, Alexej I. ;

Cederbaum, Lorenz S. .

PHYSICAL REVIEW A, 2008, 77 (03)

[7] The multiconfiguration time-dependent Hartree (MCTDH) method:: a highly efficient algorithm for propagating wavepackets [J].

Beck, MH ;

Jäckle, A ;

Worth, GA ;

Meyer, HD .

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2000, 324 (01) :1-105

[8]

Beckenbach E. F., 1964, APPL COMBINATORIAL M, P27

[9] Phase-Diffusion Dynamics in Weakly Coupled Bose-Einstein Condensates [J].

Boukobza, Erez ;

Chuchem, Maya ;

Cohen, Doron ;

Vardi, Amichay .

PHYSICAL REVIEW LETTERS, 2009, 102 (18)

[10] ON THE EQUIVALENCE OF TIME-DEPENDENT VARIATIONAL-PRINCIPLES [J].

BROECKHOVE, J ;

LATHOUWERS, L ;

KESTELOOT, E ;

VANLEUVEN, P .

CHEMICAL PHYSICS LETTERS, 1988, 149 (5-6) :547-550

← 1 2 3 4 5 6 →