172 citations · 1.8k across the 100 of their papers we have counts for
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Ab initio spectroscopic studies of AlF and AlCl molecules
R. Bala, V. S. Prasannaa, D. Chakravarti +2
In this work, we report results from our extensive spectroscopic study on AlF and AlCl molecules, keeping in mind potential laboratory as well as astrophysical applications. We car…
Molecular electric dipole moments: from light to heavy molecules using a relativistic VQE algorithm
K. R. Swain, V. S. Prasannaa, Kenji Sugisaki +1
The quantum-classical hybrid Variational Quantum Eigensolver (VQE) algorithm is recognized to be the most suitable approach to obtain ground state energies of quantum many-body sys…
Effective electric field associated with the electric dipole moment of the electron for TlF^+
R. Bala, V. S. Prasannaa, M. Abe +1
In this article, we have employed relativistic many-body theory to theoretically assess the suitability of TlF+ molecular ion in its ground state for electron electric dipole momen…
Ionization energies in lithium and boron atoms using the Variational Quantum Eigensolver algorithm
Rene Villela, V. S. Prasannaa, B. P. Das
The classical-quantum hybrid Variational Quantum Eigensolver algorithm is the most widely used approach in the Noisy Intermediate Scale Quantum era to obtain ground state energies…
Towards CP Violation Studies on Superheavy Molecules: Theoretical and Experimental Perspective
R. Mitra, V. S. Prasannaa, R. F. Garcia Ruiz +5
Molecules containing superheavy atoms can be artificially created to serve as sensitive probes for study of symmetry-violating phenomena. Here, we provide a detailed theoretical st…
Significance of non-linear terms in the relativistic coupled-cluster theory in the determination of molecular properties
V. S. Prasannaa, B. K. Sahoo, M. Abe +1
The relativistic coupled-cluster (RCC) theory has been applied recently to a number of heavy molecules to determine their properties very accurately. Since it demands large computa…