DOI: 10.1063/1.1638734. An algorithm for large scale density matrix renormalization group calculations

An algorithm for large scale density matrix renormalization group calculations

10.1063/1.1638734

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We describe in detail our high-performance density matrix renormalization group (DMRG) algorithm for solving the electronic Schrödinger equation. We illustrate the linear scalability of our algorithm with calculations on up to 64 processors. The use of massively parallel machines in conjunction with our algorithm considerably extends the range of applicability of the DMRG in quantum chemistry.

Bibliography

Chan, G. K.-L. (2004). An algorithm for large scale density matrix renormalization group calculations. The Journal of Chemical Physics, 120(7), 3172â3178.

Authors 1

Garnet Kin-Lic Chan (first)

References 10 Referenced 180

10.1103/PhysRevLett.69.2863 / Phys. Rev. Lett. (1992)
10.1063/1.476379 / J. Chem. Phys. (1998)
10.1063/1.478295 / J. Chem. Phys. (1999)
10.1063/1.1449459 / J. Chem. Phys. (2002)
10.1002/1097-461X(2000)79:6<331::AID-QUA1>3.0.CO;2-Y / Int. J. Quantum Chem. (2000)
10.1103/PhysRevB.67.125114 / Phys. Rev. B (2003)
10.1063/1.1389475 / J. Chem. Phys. (2001)
10.1016/S0009-2614(99)00791-5 / Chem. Phys. Lett. (1999)
10.1063/1.1574318 / J. Chem. Phys. (2003)
10.1103/PhysRevB.53.R10445 / Phys. Rev. B (1996)

Dates

Type	When
Created	21 years, 6 months ago (Feb. 10, 2004, 6:13 p.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 5:40 p.m.)
Indexed	1 month, 2 weeks ago (July 23, 2025, 8:58 a.m.)
Issued	21 years, 6 months ago (Feb. 15, 2004)
Published	21 years, 6 months ago (Feb. 15, 2004)
Published Print	21 years, 6 months ago (Feb. 15, 2004)

Funders 0

None

BibTeX

@article{Chan_2004, title={An algorithm for large scale density matrix renormalization group calculations}, volume={120}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1638734}, DOI={10.1063/1.1638734}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Chan, Garnet Kin-Lic}, year={2004}, month=feb, pages={3172–3178} }

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