74 citations · 98 across the 11 of their papers we have counts for
11 papers
Toward Resilient Many-Body Formulations under Incomplete Correlation Models: A Dual-Space Variational Formulation
Vibin Abraham, Bhumika Jayee, Bo Peng +2
Quantum simulations of correlated many-body systems will inevitably operate with imperfect information: the prepared states may arise from incomplete or approximate ansatze, while…
Geometry-Dependent Nonlocal Valence Screening Following Core Ionization of the Water Dimer
Vibin Abraham, Bo Peng
Core ionization is spatially localized, but the correlated valence response that screens the resulting hole need not be. Using the water dimer as a minimal hydrogen-bonded system,…
Unified Uncertainty Quantification Framework Bridging Noisy Quantum Backends Across Variational Quantum Algorithms and Quantum Signal Processing
Priyabrata Senapati, Vibin Abraham, Qiang Guan +1
We present an uncertainty quantification (UQ) framework for application level benchmarking and characterization of noisy quantum backends. The framework compares two workload class…
Chemically decisive benchmarks on the path to quantum utility
Srivathsan Poyyapakkam Sundar, Vibin Abraham, Bo Peng +1
Progress towards quantum utility in chemistry requires not only algorithmic advances, but also the identification of chemically meaningful problems whose electronic structure funda…
Elucidating Many-Body Effects in Molecular Core Spectra through Real-Time Approaches: Efficient Classical Approximations and a Quantum Perspective
Vibin Abraham, Priyabrata Senapati, Himadri Pathak +1
Accurately resolving many-body satellite features in molecular core-level spectra requires theoretical approaches that capture electron correlation both efficiently and systematica…
Generalization of the tensor product selected CI method for molecular excited states
Nicole M. Braunscheidel, Vibin Abraham, Nicholas J. Mayhall
In a recent paper [JCTC, 2020, 16, 6098], we introduced a new approach for accurately approximating full CI ground states in large electronic active-spaces, called Tensor Product S…
Quantum simulation of molecular response properties
Ashutosh Kumar, Ayush Asthana, Vibin Abraham +6
Accurate modeling of the response of molecular systems to an external electromagnetic field is challenging on classical computers, especially in the regime of strong electronic cor…
Coupled electron pair-type approximations for tensor product state wavefunctions
Vibin Abraham, Nicholas J. Mayhall
Size extensivity, defined as the correct scaling of energy with system size, is a desirable property for any many-body method. Traditional CI methods are not size extensive hence t…
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
Ayush Asthana, Ashutosh Kumar, Vibin Abraham +8
Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate…
Cluster many-body expansion: a many-body expansion of the electron correlation energy about a cluster mean-field reference
Vibin Abraham, Nicholas Mayhall
The many-body expansion (MBE) is an efficient tool which has a long history of use for calculating interaction energies, binding energies, lattice energies, and so on. In the past,…
Selected Configuration Interaction in a Basis of Cluster State Tensor Products
Vibin Abraham, Nicholas J. Mayhall
Selected configuration interaction (SCI) methods are currently enjoying a resurgence due to several recent developments which improve either the overall computational efficiency or…