Pritam Bhattacharyya

activity

20182026

most citedSpin-orbit-lattice entangled state in A

_{2}

MgReO

_{6}

(A = Ca, Sr, Ba) revealed by resonant inelastic X-ray scattering

23 citations · 156 across the 18 of their papers we have counts for

collaborators

Showing physics.chem-phShow all

3 papers · 1 filter

physics.chem-ph2023★ 18 cited

Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters

Vikram Mahamiya, Pritam Bhattacharyya, Alok Shukla

The choice of Gaussian basis functions for computing the ground-state properties of molecules, and clusters, employing wave-function-based electron-correlated approaches, is a well…

physics.chem-ph2021★ 8 cited

Why does B $_{12}$ H $_{12}$ -icosahedron need two electrons to be stable: A first-principles electron-correlated investigation of B $_{12}$ H $_{n}$ ( $n =$ 6,12) clusters

Pritam Bhattacharyya, Ihsan Boustani, Alok Shukla

In this work, we present large-scale electron-correlated computations on various conformers of B $_{12}$ H $_{12}$ and B $_{12}$ H $_{6}$ clusters, to understand the reasons behind the h…

physics.chem-ph2020★ 16 cited

Pariser-Parr-Pople Model based Configuration-Interaction Study of Linear Optical Absorption in Lower-Symmetry Polycyclic Aromatic Hydrocarbon Molecules

Pritam Bhattacharyya, Deepak Kumar Rai, Alok Shukla

The electronic and optical properties of various polycyclic aromatic hydrocarbons (PAHs) with lower symmetry, namely, benzo[ghi]perylene (C $_{22}$ H $_{12}$ ), benzo[a]coronene (C$_{2…

Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters

Why does B12​H12​-icosahedron need two electrons to be stable: A first-principles electron-correlated investigation of B12​Hn​ (n=6,12) clusters

Pariser-Parr-Pople Model based Configuration-Interaction Study of Linear Optical Absorption in Lower-Symmetry Polycyclic Aromatic Hydrocarbon Molecules

Why does B $_{12}$ H $_{12}$ -icosahedron need two electrons to be stable: A first-principles electron-correlated investigation of B $_{12}$ H $_{n}$ ( $n =$ 6,12) clusters