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ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS - A PROCEDURE FOR THE INCLUSION OF SPIN-ORBIT-COUPLING IN MOLECULAR WAVEFUNCTIONS ERMLER, WC; Lee, Yoon Sup; CHRISTIANSEN, PA; PITZER, KS, CHEMICAL PHYSICS LETTERS, v.81, no.1, pp.70 - 74, 1981 |
ABINITIO POTENTIAL-ENERGY CURVES FOR THE LOW-LYING ELECTRONIC STATES OF THE ARGON EXCIMER YATES, JH; ERMLER, WC; WINTER, NW; CHRISTIANSEN, PA; Lee, Yoon Sup; PITZER, KS, JOURNAL OF CHEMICAL PHYSICS, v.79, no.12, pp.6145 - 6149, 1983 |
IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS CHRISTIANSEN, PA; Lee, Yoon Sup; PITZER, KS, JOURNAL OF CHEMICAL PHYSICS, v.71, no.11, pp.4445 - 4450, 1979 |
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