Bhaskar Rana

6PUBLICATIONS
15CO-AUTHORS
Theoretical quantum chemistryPhotonics, optoelectronics and optical communicationsCondensed matter modelling and density functional theoryRadiation and matterContaminant hydrology
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Publications (6)

|Jun 24, 2024
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.

Diptarka Hait, Dean Lahana, O Jonathan Fajen

|Dec 18, 2023
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning.

Bhaskar Rana, Edward G Hohenstein, Todd J Martínez

|Jun 08, 2022
Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFT.

Bhaskar Rana, Marc P Coons, John M Herbert

|Aug 18, 2021
Hidden Hemibonding in the Aqueous Hydroxyl Radical.

Bhaskar Rana, John M Herbert

|Aug 24, 2019
Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated Electron.

Saswata Dasgupta, Bhaskar Rana, John M Herbert

|Jun 29, 2019
Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics.

Jie Liu, Bhaskar Rana, Kuan-Yu Liu

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Frequent Collaborators

4 joint publications

John M Herbert

2 joint publications

Todd J Martínez

1 joint publications

Kuan-Yu Liu

1 joint publications

Saswata Dasgupta