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20152024
most citedImplementation of Z-vector method in the relativistic coupled cluster framework to calculate first order energy derivatives: Application to SrF molecule

24 citations · 40 across the 5 of their papers we have counts for

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8 papers · 1 filter

physics.chem-ph20221 cited

Time-dependent multiconfiguration self-consistent-field and time-dependent optimized coupled-cluster methods for intense laser-driven multielectron dynamics

Takeshi Sato, Himadri Pathak, Yuki Orimo +1

We review time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method and time-dependent optimized coupled-cluster (TD-OCC) method for first-principles simulations of…

physics.chem-ph2021

Time-dependent optimized coupled-cluster method for multielectron dynamics IV: Approximate consideration of the triple excitation amplitudes

Himadri Pathak, Takeshi Sato, Kenichi L. Ishikawa

We present a cost-effective treatment of the triple excitation amplitudes in the time-dependent optimized coupled-cluster (TD-OCC) framework called TD-OCCDT(4) for studying intense…

physics.chem-ph20201 cited

Study of laser-driven multielectron dynamics of Ne atom using time-dependent optimized second-order many-body perturbation theory

Himadri Pathak, Takeshi Sato, Kenichi L. Ishikawa

We calculate the high-harmonic generation (HHG) spectra, strong-field ionization, and time-dependent dipole-moment of Ne using explicitly time-dependent optimized second-order many…

physics.chem-ph2020

Time-dependent optimized coupled-cluster method for multielectron dynamics III: A second-order many-body perturbation approximation

Himadri Pathak, Takeshi Sato, Kenichi L. Ishikawa

We report successful implementation of the time-dependent second-order many-body perturbation theory using optimized orthonormal orbital functions called time-dependent optimized s…

physics.chem-ph2020

Relativistic double-ionization equation-of-motion coupled-cluster method: Application to low-lying doubly ionized states

Himadri Pathak, Sudip Sasmal, Kaushik Talukdar +3

The article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)]…

physics.chem-ph2020

Time-dependent optimized coupled-cluster method for multielectron dynamics II. A coupled electron-pair approximation

Himadri Pathak, Takeshi Sato, Kenichi L. Ishikawa

We report the implementation of a cost-effective approximation method within the framework of time-dependent optimized coupled-cluster (TD-OCC) method [J. Chem. Phys. 148, 051101 (…