MOLPRO Basis Query, basis=AVQZ-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).
Ga-As, In-Sb, Tl-Bi: K.A. Peterson, J. Chem. Phys. 119, 11099 (2003).
Se-Kr, Te-Kr, Po-Rn: K.A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys. 119, 1113 (2003).
in this file:
K-Ca, Rb-Sr, Cs-Ba, Fr-Ra: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017).
! POTASSIUM 15s12p8d3f2g -> 7s6p5d3f2g