Research Output per year

## 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.

- 3 Similar Profiles

perturbation
Physics & Astronomy

Electron correlations
Chemical Compounds

Density functional theory
Chemical Compounds

energy
Physics & Astronomy

Potential energy surfaces
Chemical Compounds

Wave functions
Chemical Compounds

Polyacetylenes
Chemical Compounds

orbitals
Physics & Astronomy

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## 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 proceeding › Chapter

Canonical Ensemble

Conserve

Finite Temperature

Perturbation Theory

Chemical potential

## Monte Carlo Second- And Third-Order Many-Body Green's Function Methods with Frequency-Dependent, Nondiagonal Self-Energy

Doran, A. E. & Hirata, S., Nov 12 2019, In : Journal of Chemical Theory and Computation. 15, 11, p. 6097-6110 14 p.Research output: Contribution to journal › Article

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 proceeding › Chapter

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 journal › Article

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 journal › Article

Ionization potential

Green's function

Green's functions

Importance sampling

Program processors