INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOL. IV, 341-345 (1970)

Errata

Theory of Two Shells of Atomic Electrons Using Non-Orthogonal Radial Orbitals

(Article in Int. J. Quantum Chem. 111, 913-930, 1969)

by A. P. JUCYS AND A. A. BANDZAITIS V . Kapsukas State University Vilnius, Vilnius, USSR

AND

J. J. GRUDZINSKAS Institute of Physics and Mathematics of the Academy of Sciences of Lithuanian SSR, Vilnius, USSR

To the right-hand sides of the formulas (41) and (42) must be joined the phase factor (-l)Ns and to those of (56)-(59) the phase factor (-l)N2-1.

Self-consistent Pseudo-Eigenvalue Equations in Parametric Charge- Dependent MO Methods

(Article in Int. J. Quantum Chem. IV, 127-138, 1970)

by GORAN KARLSSON Quantum Chemistry Group, U’psala University, Box 518, S-751 20 UMsala I , Sweden

Table I. The coefficients do not correspond to Equation (15) but to

The programming was made with this last formula but the results are influenced.

0 1970 by John Wiley & Sons, Inc. 341

342 ERRATA

For Equation ( 15) the table should be :

TABLE I. Coefficients in the formula of Equation (15).

Coefficients Starting values of HPp of Starting value

Valence a of a of Eq. (32) and of HPlr of statea Eq. (32) Eq. (31) k 1 FP: Eq. (31)

H(i000) -13.600 -20.025 0 - 12.850 - 13.600 -26.450 C(i2pPO) -19.423 -42.922 -1.244 -11.750 -19.423 -66.42 1 C ( S ~ @ ) -10.931 -34.544 -1.638 -11.806 -10.931 -58.157 N(i2$@) -25.583 -51.876 -1.616 -13.146 -25.583 -78.169 N(~2ppP) -13.941 -42.216 -1.038 -14.138 -13.941 -70.491

Underlined electrons are the excited ones. From Bibliography [ 101.

On the Dynamics of Crystals with Molecular Impurity Centers. I. Compatibility Conditions

(Article in Int. J. Quantum Chem. III S, 881-901, 1970)

by HANS R. FANKHAUSER Department of Physics, Michigan State University, East Lansing, Michigan 48823

It is regretted that a few small errors appeared in Tables VII, X and XII. The corrected Tables are as follows: