Triple zeta quality basis sets for atoms Rb through Xe: application in CCSD(T) atomic and molecular property calculations

By Campos C.T.   Jorge F.E.  

Molecular Physics, Vol. 111, Iss. 2, 2013-01 ,pp. : 167-173

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Cation–&pgr; complexes between alkali metal cation and para -halogenophenols. Structures, binding energies and thermodynamic properties: DFT study and CCSD(T) complete basis set limit calculations

By Zierkiewicz W.   Michalska D.   Černý J.   Hobza P.  

Molecular Physics, Vol. 104, Iss. 13-14, 2006-07 ,pp. : 2317-2325

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Dimers of rare gas atoms: CCSD(T), CCSDT and FCI calculations on the (He)2 dimer, CCSD(T) and CCSDT calculations on the (Ne)2 dimer, and CCSD(T) all-electron and pseudopotential calculations on the dimers from (Ne)2 through (Xe)2

By Burda J. V.   Zahradnik R.   Hobza P.   Urban M.  

Molecular Physics, Vol. 89, Iss. 2, 1996-10 ,pp. : 425-432

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Molecular structure and IR spectra of bromomethanes by DFT and post-Hartree-Fock MP2 and CCSD(T) calculations

By Venkatraman Ramaiyer   Kwiatkowski Jozef S.   Bakalarski Grzegorz   Leszczynski Jerzy  

Molecular Physics, Vol. 98, Iss. 6, 2000-03 ,pp. : 371-386

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Gaussian basis sets of triple and quadruple zeta valence quality for correlated wave functions

By Barbieri P. L.   Fantin P. A.   Jorge F. E.  

Molecular Physics, Vol. 104, Iss. 18, 2006-09 ,pp. : 2945-2954

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