19952019
If you made any changes in Pure, your changes will be visible here soon.

Fingerprint Fingerprint is based on mining the text of the expert's scholarly documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 2 Similar Profiles
perturbation Physics & Astronomy
Electron correlations Chemical Compounds
Potential energy surfaces Chemical Compounds
Density functional theory Chemical Compounds
energy Physics & Astronomy
Wave functions Chemical Compounds
Polyacetylenes Chemical Compounds
orbitals Physics & Astronomy

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 1995 2019

Converging finite-temperature many-body perturbation theory in the grand canonical ensemble that conserves the average number of electrons

Hirata, S. & Jha, P. K., 2019, Annual Reports in Computational Chemistry. Dixon, D. A. (ed.). Elsevier Ltd, p. 17-37 21 p. (Annual Reports in Computational Chemistry; vol. 15).

Research output: Chapter in Book/Report/Conference proceedingChapter

Canonical Ensemble
Conserve
Finite Temperature
Perturbation Theory
Chemical potential
Binding energy
Green's function
Green's functions
Program processors
Electrons

Numerical evidence invalidating finite-temperature many-body perturbation theory

Jha, P. K. & Hirata, S., 2019, Annual Reports in Computational Chemistry. Dixon, D. A. (ed.). Elsevier Ltd, p. 3-15 13 p. (Annual Reports in Computational Chemistry; vol. 15).

Research output: Chapter in Book/Report/Conference proceedingChapter

Chemical potential
Chemical Potential
Finite Temperature
Perturbation Theory
Benchmark

Sparse low rank approximation of potential energy surfaces with applications in estimation of anharmonic zero point energies and frequencies

Rai, P., Sargsyan, K., Najm, H. & Hirata, S., Aug 15 2019, In : Journal of Mathematical Chemistry. 57, 7, p. 1732-1754 23 p.

Research output: Contribution to journalArticle

Sparse Approximation
Low-rank Approximation
Potential Energy Surface
Potential energy surfaces
Zero Point

Monte Carlo explicitly correlated many-body Green's function theory

Johnson, C. M., Doran, A. E., Ten-No, S. L. & Hirata, S., Nov 7 2018, In : Journal of Chemical Physics. 149, 17, 174112.

Research output: Contribution to journalArticle

Ionization potential
Green's function
Green's functions
Importance sampling
Program processors