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20222026
most citedA lower scaling four-component relativistic coupled cluster method based on natural spinors

21 citations · 37 across the 8 of their papers we have counts for

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2 papers · 1 filter

physics.chem-ph2025

Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets

Kshitijkumar A. Surjuse, Edward F. Valeev

We present model-assisted density fitting (MADF) basis set generator, an algorithm for generating primitive atomic Gaussian density fitting (DF) basis sets (DFBSs) from a contracte…

physics.chem-ph2025★ 4 cited

Slimmer Geminals For Accurate F12 Electronic Structure Models

Samuel R. Powell, Kshitijkumar A. Surjuse, Bimal Gaudel +1

The Slater-type F12 geminal lengthscales originally tuned for the second-order Møller-Plesset F12 method are too large for higher-order F12 methods formulated using the SP (diagona…