activity
20202023
most citedDual Exponential Coupled Cluster Theory: Unitary Adaptation, Implementation in the Variational Quantum Eigensolver Framework and Pilot Applications

21 citations · 69 across the 13 of their papers we have counts for

collaborators

13 papers

quant-ph2023

Ground or Excited State: a State-Specific Variational Quantum Eigensolver for Them All

Dibyendu Mondal, Rahul Maitra

Variational Quantum Eigensolver (VQE) provides a lucrative platform to determine molecular energetics in near-term quantum devices. While the VQE is traditionally tailored to deter…

physics.chem-ph2023

Accurate determination of excitation energy: An equation-of-motion approach over a bi-exponential Coupled Cluster theory

Anish Chakraborty, Pradipta Kumar Samanta, Rahul Maitra

The calculation of molecular excited states is critically important to decipher a plethora of molecular properties. In this manuscript, we develop an equation of motion formalism o…

quant-ph2023★ 15 cited

Development of Zero-Noise Extrapolated Projection Based Quantum Algorithm for Accurate Evaluation of Molecular Energetics in Noisy Quantum Devices

Chinmay Shrikhande, Sonaldeep Halder, Rahul Maitra

The recently developed Projective Quantum Eigensolver (PQE) offers an elegant procedure to evaluate the ground state energies of molecular systems on quantum computers. However, th…

physics.comp-ph2023★ 3 cited

Fixing the Catastrophic Break-down of Single Reference Coupled Cluster Theory for Strongly Correlated Systems: Two Paradigms towards the Implicit Inclusion of High Rank Correlation with Low-Spin Channels

Anish Chakraborty, Rahul Maitra

The dual exponential coupled cluster (CC) theory proposed by Tribedi et al.[J. Chem. Theory Comput. 2020, 16, 10, 6317-6328] performs significantly better than the coupled cluster…

quant-ph2023

Machine Learning Aided Dimensionality Reduction towards a Resource Efficient Projective Quantum Eigensolver

Sonaldeep Halder, Chayan Patra, Dibyendu Mondal +1

The recently developed Projective Quantum Eigensolver (PQE) has been demonstrated as an elegant methodology to compute the ground state energy of molecular systems in Noisy Intermd…

quant-ph2023★ 2 cited

On-the-fly Tailoring towards a Rational Ansatz Design for Digital Quantum Simulations

Dibyendu Mondal, Sonaldeep Halder, Dipanjali Halder +1

Recent advancements in quantum information and quantum technology has stimulated a good deal of interest in the development of quantum algorithms for energetics and properties of m…