1.2k citations · 4k across the 48 of their papers we have counts for
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Fast Semistochastic Heat-Bath Configuration Interaction
Junhao Li, Matt Otten, Adam A Holmes +2
This paper presents in detail our fast semistochastic heat-bath configuration interaction (SHCI) method for solving the many-body Schrodinger equation. We identify and eliminate co…
Faster and lower scaling orbital-space Variational Monte Carlo
Iliya Sabzevari, Sandeep Sharma
In this work, we introduce three algorithmic improvements to reduce the cost and improve the scaling of orbital space variational Monte Carlo (VMC). First, we show that by appropri…
Controlled light shaping via phase dependent electromagnetically induced transparency
Sandeep Sharma, Tarak N. Dey
We explore optical manipulation of sculpted light based on phase dependent electromagnetically induced transparency through a five level atomic system. A transverse magnetic field…
New superexchange paths due to breathing-enhanced hopping in corner-sharing cuprates
Nikolay A. Bogdanov, Giovanni Li Manni, Sandeep Sharma +2
We present ab initio calculations of the superexchange antiferromagnetic spin coupling for two cuprates, SrCuO and LaCuO. Good agreement with experimental estim…
Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction
Alan D. Chien, Adam A. Holmes, Matthew Otten +3
The electronically excited states of methylene (CH), ethylene (CH), butadiene (CH), hexatriene (CH), and ozone (O) have long proven challenging due…
Stochastic perturbation theory to correct non-linearly parametrized wavefunctions
Sandeep Sharma
We introduce an algorithm that can be used to perform stochastic perturbation theory (sPT) to correct any non-linearly parametrized wavefunction that can be optimized using orbital…