Pairwise connected tensor network representation of path integrals

被引:17
作者
Bose, Amartya [1 ]
机构
[1] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
关键词
MATRIX RENORMALIZATION-GROUP; REDUCED DENSITY-MATRICES; QUANTUM TIME EVOLUTION; RATE CONSTANTS; PROPAGATOR; DYNAMICS; MEMORY; FORMULATION; BATH;
D O I
10.1103/PhysRevB.105.024309
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
It has been recently shown how the tensorial nature of real-time path integrals (PIs) involving the Feynman-Vernon influence functional can be utilized with matrix product states, taking advantage of the finite length of the bath-induced memory. Tensor networks (TNs) promise to provide a unified language to express the structure of a PI. Here, a generalized TN specifically incorporating the pairwise interaction structure of the influence functional and its invariance with respect to the average forward-backward position or the sojourn value in the form of the blip representation is derived and implemented. This pairwise connected TNPI (PC-TNPI) is illustrated through applications to typical spin-boson problems and explorations of the differences caused by the exact form of the spectral density. The storage and performance scalings are reported, showing the compactness of the representation and the efficiency of the contraction process. Finally, taking advantage of the compressed representation, the viability of using PC-TNPI for simulating multistate problems is demonstrated. The PC-TNPI structure can be shown to yield other TN algorithms currently in use. Consequently, it should be possible to use it as a starting point for deriving other optimized procedures.
引用
收藏
页数:11
相关论文
共 52 条
[1]   Direct Computation of Influence Functional Coefficients from Numerical Correlation Functions [J].
Allen, Thomas C. ;
Walters, Peter L. ;
Makri, Nancy .
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (09) :4169-4177
[2]   Quantum-Classical Path Integral with Self-Consistent Solvent-Driven Reference Propagators [J].
Banerjee, Tuseeta ;
Makri, Nancy .
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (42) :13357-13366
[3]   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
[4]  
Bose A., ARXIV210612523
[5]   A multisite decomposition of the tensor network path integrals [J].
Bose, Amartya ;
Walters, Peter L. .
JOURNAL OF CHEMICAL PHYSICS, 2022, 156 (02)
[6]   Quantum-classical path integral evaluation of reaction rates with a near-equilibrium flux formulation [J].
Bose, Amartya ;
Makri, Nancy .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2021, 121 (10)
[7]   Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics [J].
Bose, Amartya ;
Makri, Nancy .
JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (15)
[8]   PATH INTEGRAL APPROACH TO QUANTUM BROWNIAN-MOTION [J].
CALDEIRA, AO ;
LEGGETT, AJ .
PHYSICA A, 1983, 121 (03) :587-616
[9]   QUANTUM TUNNELLING IN A DISSIPATIVE SYSTEM [J].
CALDEIRA, AO ;
LEGGETT, AJ .
ANNALS OF PHYSICS, 1983, 149 (02) :374-456
[10]   THE THEORY OF A GENERAL QUANTUM SYSTEM INTERACTING WITH A LINEAR DISSIPATIVE SYSTEM [J].
FEYNMAN, RP ;
VERNON, FL .
ANNALS OF PHYSICS, 1963, 24 (01) :118-173