1 citations · 1 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2024★ 1 cited
Beyond CCSD(T) accuracy at lower scaling with auxiliary field quantum Monte Carlo
Ankit Mahajan, James H. Thorpe, Jo S. Kurian +3
We introduce a black-box auxiliary field quantum Monte Carlo (AFQMC) approach to perform highly accurate electronic structure calculations using configuration interaction singles a…
physics.comp-ph2024
Fast and spectrally accurate construction of adaptive diagonal basis sets for electronic structure
Michael Lindsey, Sandeep Sharma
In this article, we combine the periodic sinc basis set with a curvilinear coordinate system for electronic structure calculations. This extension allows for variable resolution ac…
physics.chem-ph2024
Use of multigrids to reduce the cost of performing interpolative separable density fitting
Kori E. Smyser, Alec White, Sandeep Sharma
In this article, we present an interpolative separable density fitting (ISDF) based algorithm to calculate exact exchange in periodic mean field calculations. In the past, decompos…