An extensive validation study of the method (for most of the G2/97 set of systems)
can be found in:
S. Parthiban and J. M. L. Martin,
``Assessment of W1 and W2 theories for the computation of
electron affinities, ionization potentials, heats of formation,
and proton affinities'', Journal of Chemical Physics 114,
6014-6029 (2001)
[Read in JCP Online; Download preprint from arXiv.org; from JCPExpress; Supplementary
material]
Very recently, we proposed a new method (W3 theory) that includes corrections
for post-CCSD(T) correlation effects, and offers still better accuracy as well
as greater robustness towards nondynamical correlation effects:
A. Daniel Boese, Mikhal Oren, Onur Atasoylu, Jan M. L. Martin*, Mihály Kállay and Jürgen Gauss, "W3 theory: robust computational thermochemistry in the kJ/mol accuracy range", Journal of Chemical Physics
120, 4129-4141 (2004)
[Read in JCP Online; Supporting Information; Preprint at arXiv.org]
Lower-cost approximations to W1 and W2 theory are discussed in a book chapter: J. M. L. Martin and S. Parthiban, ``W1 and W2 theory and their variants: thermochemistry in the kJ/mol accuracy range'', in Quantum Mechanical Prediction of Thermochemical Data, edited by J. Cioslowski, (Understanding Chemical Reactivity series, vol. 22, ISBN 0-7923-7077-5 hardcover, 0-3064-7632-0 eBook), Kluwer Academic Publishers, Dordrecht (The Netherlands), August 2001, Chapter 2, pp. 31-65 [Supporting information]. [Book Review in Angewandte Chemie]
NEWS:A slightly modified version of W1 theory has been implemented into the popular Gaussian 03 quantum chemistry program system.
This site is under construction. Meanwhile, here are links to some auxiliary data that might be useful for people trying to run their own W1 or W2 theory calculations:
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