J
Jan M. L. Martin
Researcher at Weizmann Institute of Science
Publications - 321
Citations - 28265
Jan M. L. Martin is an academic researcher from Weizmann Institute of Science. The author has contributed to research in topics: Ab initio & Coupled cluster. The author has an hindex of 83, co-authored 308 publications receiving 25411 citations. Previous affiliations of Jan M. L. Martin include Ames Research Center & San Diego Supercomputer Center.
Papers
More filters
Journal ArticleDOI
W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data
TL;DR: The W4-11 dataset as discussed by the authors provides a broad spectrum of bonding situations and multireference character, and as such is an excellent, quasi-automated benchmark for parametrization and validation of more approximate methods (such as DFT functionals and composite methods).
Journal ArticleDOI
DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction
TL;DR: In this paper, a general-purpose double-hybrid DFT parametrization based on the BLYP functional, spin-component scaled (SCS) MP2-like correlation and a dispersion correction, called DSD-BLYP, is presented.
Journal ArticleDOI
Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]
Amir Karton,Jan M. L. Martin +1 more
TL;DR: In this article, a minor modification of the extrapolation proposed by Jensen yielded very reliable estimates of the Hartree-Fock limit in conjunction with correlation consistent basis sets, with an RMS error of 0.1
Journal ArticleDOI
Comment on: "Estimating the Hartree-Fock limit from finite basis set calculations" [Jensen F (2005) Theor Chem Acc 113:267]
Amir Karton,Jan M. L. Martin +1 more
TL;DR: In this article, a minor modification of the extrapolation proposed by Jensen yielded very reliable estimates of the Hartree-Fock limit in conjunction with correlation consistent basis sets, with an RMS error of 0.1 millihartree using aug-cc-pVQZ and aug-c-pv5Z basis sets.
Journal ArticleDOI
IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I
Branko Ruscic,James E. Boggs,Alexander Burcat,Attila G. Császár,Jean Demaison,Rudolf Janoschek,Jan M. L. Martin,Melita L. Morton,Michel J. Rossi,John F. Stanton,Péter G. Szalay,Phillip R. Westmoreland,F. Zabel,Tibor Bérces +13 more
TL;DR: In this paper, the first part of a series of articles reporting critically evaluated thermochemical properties of selected free radicals is presented, including the enthalpy of formation, as well as the heat capacity, integrated heat capacity and entropy of the radicals.