0000-0003-2757-1711 Employment
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University of Delhi Associate Professor2025 - Present
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Publications (20)
- Hybrid quartic force fields with atom-specific basis sets: an efficient route to calculate anharmonic vibrational spectra Save
- Accelerating Quantum Anharmonic Vibrational Calculations by Atom-Specific Hybrid Basis Set-Based Potential Energy Surface Approach Save
- A reduced-parameter variational strategy for accelerated evaluation of thermal density matrices via quantum effective harmonic oscillators approach Save
- Deciphering the interplay of different electronic and vibrational structure theory parameters for the computation of anharmonic molecular vibrations Save
- Performance of Effective Harmonic Oscillator Approach for the Calculations of Vibrational Transition Energies of Large Molecules Save
- Vibrational mode tailoring approach: an efficient route to compute anharmonic molecular vibrations of large molecules Save
- Accuracy of Different Electronic Basis Set Families for Anharmonic Molecular Vibrations: A Comprehensive Benchmark Study Save
- Sulfonated Polybenzimidazole as a PEM in a Microbial Fuel Cell: An Efficient Strategy for Green Energy Generation and Wastewater Cleaning Save
- Effects of Non-Local Exchange Functionals in the Density Functional Theories for the Description of Molecular Vibrations Save
- The Importance of Electron Correlations on Vibrational Anharmonicities and Potential Energy Surfaces Save