114 citations · 396 across the 10 of their papers we have counts for
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physics.chem-ph2018★ 6 cited
A Simple Model For Scalar Relativistic Corrections To Molecular Total Atomization Energies
Jan M. L. Martin, Nitai Sylvetsky
Scalar relativistic corrections to atomization energies of 1st-and 2nd-row molecules can be rationalized in terms of a simple additive model, linear in changes in atomic s populati…
physics.chem-ph2018★ 61 cited
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies
Manoj K. Kesharwani, Nitai Sylvetsky, Andreas Köhn +2
While the title question is a clear 'yes' from purely theoretical arguments, the case is less clear for practical calculations with finite (one-particle) basis sets. To shed furthe…
physics.chem-ph2018★ 16 cited
Probing the basis set limit for thermochemical contributions of inner-shell correlation: Balance of core-core and core-valence contributions
Nitai Sylvetsky, Jan M. L. Martin
The inner-shell correlation contributions to the total atomization energies (TAEs) of the W4-17 computational thermochemistry benchmark have been determined at the CCSD(T) level ne…