74 citations · 98 across the 11 of their papers we have counts for
4 papers · 1 filter
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,…
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…
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…
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…