6 papers
Efficient computation of real-time correlators using Pauli Propagation
Alexander F. Kemper, Raghav G. Jha, Arnab Bachhar +3
Pauli propagation has shown promise for classically simulating quantum dynamics by evolving observables directly in the Heisenberg picture. In this work, we investigate its use for…
Pauli propagation enables fast classical simulation of strongly correlated quantum systems
Chinmay Shrikhande, Arnab Bachhar, Aaron Rodriguez Jimenez +2
Ground state energy estimation for strongly correlated quantum systems remains a central challenge in computational physics and chemistry. While tensor network methods like DMRG pr…
Computing Exchange Coupling constants in Transition metal complexes with Tensor Product Selected Configuration Interaction
Arnab Bachhar, Nicholas J. Mayhall
Transition metal complexes present significant challenges for electronic structure theory due to strong electron correlation arising from partially filled -orbitals. We compare…
Restricted Open-shell cluster Mean-Field theory for Strongly Correlated Systems
Arnab Bachhar, Nicholas J. Mayhall
The cluster-based Mean Field method (cMF) and it's second order perturbative correction[1], was introduced by Jiménez-Hoyos and Scuseria to reduce the cost of modeling strongly cor…
Accurate and Interpretable Representation of Correlated Electronic Structure via Tensor Product Selected CI
Nicole M. Braunscheidel, Arnab Bachhar, Nicholas J. Mayhall
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in…
Electron Attachment to Wobble Base Pairs
Jishnu Narayanan S J, Arnab Bachhar, Divya Tripathi +1
We have analyzed the low-energy electron attachment to wobble base pairs using the equation motion coupled cluster method and extended basis sets. A doorway mechanism exists for th…