4 citations · 5 across the 6 of their papers we have counts for
9 papers
Precise Determination of Electric Dipole Polarizabilities of Sr Clock States Using Linear-Response and Equation-of-Motion Relativistic Coupled-Cluster Methods
Somesh Chamoli, Sudipta Chakraborty, B. K. Sahoo +3
We present accurate values of the electric dipole polarizabilities () of the ground and excited states of Sr using four-component relativistic coupled-cluster (RCC) theory withi…
Low-Cost Third-order Algebraic Diagrammatic Construction Method for Excited States Using Tensor Hypercontraction and State-Specific Frozen Natural Orbitals
Amrita Manna, Sudipta Chakraborty, Alexander B. Trofimov +2
We have developed a reduced-cost framework for excited-state calculations by combining the state-specific frozen natural orbital (SS-FNO) approach with the third-order algebraic di…
Relativistic Exact-Two-Component Core-Valence-Separated Algebraic Diagrammatic Construction Theory For Near L-edge X-ray Absorption Spectra
Somesh Chamoli, Sudipta Chakraborty, Xubo Wang +1
We present an efficient implementation of the second-order two-component relativistic core-valence-separated algebraic diagrammatic construction method (CVS-ADC(2)) for core-excita…
Efficient Implementation of Relativistic Coupled Cluster Linear Response Theory in Combination with Perturbation Sensitive Natural Spinors and Cholesky Decomposition Treatment of Two-electron Integrals
Sudipta Chakraborty, Muskan Begom, Xubo Wang +1
We present an efficient implementation of the low-cost linear-response coupled-cluster singles and doubles (LR-CCSD) method for computing static and frequency-dependent polarizabil…
A Low Cost Relativistic Algebraic Diagrammatic Construction Method Based on Cholesky Decomposition and Frozen Natural Spinors for Electronic Ionization, Attachment and Excitation Energy Problem
Sudipta Chakraborty, Kamal Majee, Achintya Kumar Dutta
We present an efficient relativistic implementation of algebraic diagrammatic construction (ADC) theory up to third order for the treatment of electronic ionization potentials (IP)…
Ab Initio Calculations of the Static and Dynamic Polarizability of BaOH
E. H. Prinsen, A. Borschevsky, S. Hoekstra +5
We present high-precision ab initio calculations of the static and dynamic polarizability of the barium monohydroxide (BaOH) molecule, using relativistic coupled-cluster th…
A low-cost four-component relativistic coupled cluster linear response theory based on perturbation sensitive natural spinors
Sudipta Chakraborty, Amrita Manna, T. Daniel Crawford +1
We present an efficient implementation of four-component linear response coupled cluster singles and doubles (4c-LRCCSD) theory that enables accurate and computationally efficient…
Spin-free exact two-component linear response coupled cluster theory for estimation of frequency-dependent second-order property
Sudipta Chakraborty, Tamoghna Mukhopadhyay, Achintya Kumar Dutta
We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCS…
A relativistic third-order algebraic diagrammatic construction theory for electron detachment, attachment and excitation problems
Sudipta Chakraborty, Tamoghna Mukhopadhyay, Malaya K. Nayak +1
We present the theory and implementation of a highly efficient relativistic third-order algebraic diagrammatic construction [ADC(3)] method based on a four-component (4c) Dirac-Cou…