A fast fourier transform method for calculating the equilibrium density matrix

Bo Hellsing, Abraham Nitzan*, Horia Metiu

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

We calculate the low-temperature quantum density matrix by integrating numerically the Bloch equation. The initial condition is the classical high-temperature value of the density matrix. The integration method uses short "time" propagators computed by a fast Fourier transform method.

Original languageEnglish
Pages (from-to)523-527
Number of pages5
JournalChemical Physics Letters
Volume123
Issue number6
DOIs
StatePublished - 13 Jan 1986
Externally publishedYes

Funding

FundersFunder number
NSF CHE82-06130CHE82-06130
Office of NavalR esearcha ndt heN ationaSl cienceF oundation

    Fingerprint

    Dive into the research topics of 'A fast fourier transform method for calculating the equilibrium density matrix'. Together they form a unique fingerprint.

    Cite this