most citedA low-cost four-component relativistic coupled cluster linear response theory based on perturbation sensitive natural spinors

4 citations · 5 across the 2 of their papers we have counts for

collaborators

4 papers

physics.chem-ph2026

Relativistic Cavity Quantum Electrodynamical Algebraic Diagrammatic Construction Method for Strong Light-Matter Coupling

Sudipta Chakraborty, Amrita Manna, Lukas Konecny +1

We present the relativistic four-component implementation of cavity quantum electrodynamical algebraic diagrammatic construction theory at second order (4c-QED-EE-ADC(2)) for the a…

physics.chem-ph2026

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…

physics.chem-ph2025★ 1 cited

A reduced cost equation of motion coupled cluster method for excited states based on state-specific natural orbitals: Theory, Implementation, Benchmark

Amrita Manna, Achintya Kumar Dutta

We present a reduced-cost equation-of-motion coupled-cluster method for excited states, built on a new state-specific frozen natural orbital (SS-FNO) framework. This approach enabl…

physics.chem-ph2025★ 4 cited

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…