MOLPRO Basis Query, basis=cc-pwCV5Z-PP
Literature Citation
Elements References
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in lib/pseudo.libmol:
Cu,Zn,Ag,Cd,Au,Hg: K.A. Peterson and C. Puzzarini, Theor. Chem. Acc. 114, 283 (2005).
Y-Pd : K.A. Peterson, D. Figgen, M. Dolg, and H. Stoll, J. Chem. Phys. 126, 124101 (2007).
Hf-Pt: D. Figgen, K.A. Peterson, M. Dolg, H. Stoll, J. Chem. Phys. 130, 164108 (2009).
in this file:
Ga-Kr,In-Xe,Tl-Rn : K.A. Peterson and K.E. Yousaf, J. Chem. Phys. 133, 174116 (2010).
K-Ca, Rb-Sr, Cs-Ba, Fr-Ra: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017).
! GALLIUM (16s,13p,13d,3f,2g,1h) -> [7s,6p,5d,3f,2g,1h]
$ GALLIUM Tight (4s,4p,4d,4f,3g,2h,1i)