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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)

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|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

<i>Ab Initio</i> 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 <i>ab Initio</i> 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

1 joint publications

Marc P Coons

1 joint publications

Edward G Hohenstein

1 joint publications

Diptarka Hait

1 joint publications

Dean Lahana

1 joint publications

O Jonathan Fajen

1 joint publications

Amiel S P Paz

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

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