Large-Scale Implementation of the Density Matrix Renormalization Group Algorithm

Gonzalo A. Álvarez

Csaba Nemes, Gergely Barcza, Zoltán Nagy +2 more

Bhupender Thakur

T. Papenbrock, David J. Dean

We employ the density matrix renormalization group (DMRG) and the wavefunction factorization method for the numerical solution of large-scale nuclear structure problems. The DMRG exhibits an improved convergence for problems with realistic interactions due to the implementation of the finite algorithm. The wavefunction factorization of fpg -shell nuclei yields rapidly converging approximations that are at the present frontier for large-scale shell-model calculations.

Eric Jeckelmann

Qin Shao-Jin, Lou Ji-Zhong

We present the memory size,computational time,and technique aspects of density matrix renormalization group (DMRG) algorithm.We show how to estimate the memory size and computational time before starting a large scale DMRG calculation.We propose an implementation of the Hamiltonian wavefunction multiplication and a wavefunction initialization in DMRG with block matrix data structure.One-dimensional Heisenberg model is used to illustrate our study.