Comment on ‘‘Relativistic effects in bonding and dipole moments for the diatomic hydrides of the sixth-row heavy elements’’

K. Balasubramanian; P. A. Christiansen; K. S. Pitzer

doi:10.1103/PhysRevA.43.2581

Comment on ‘‘Relativistic effects in bonding and dipole moments for the diatomic hydrides of the sixth-row heavy elements’’

K. Balasubramanian, P. A. Christiansen, and K. S. Pitzer

Phys. Rev. A 43, 2581 – Published 1 March 1991

Abstract

We compare the recent results of Ramos, Pyper, and Malli [Phys. Rev. A 38, 2729 (1988)] on sixth-row hydrides with our previous results and experiment. It is shown that the four-component Dirac-Fock method yields poor $D_{e}$ ’s and an unrealistic description of bonding compared to previous calculations and experiment.

Received 11 December 1989

DOI:https://doi.org/10.1103/PhysRevA.43.2581

Authors & Affiliations

K. Balasubramanian

Department of Chemistry, Arizona State University, Tempe, Arizona 85287-1604

P. A. Christiansen

Department of Chemistry, Clarkson University, Potsdam, New York 13676

K. S. Pitzer

Department of Chemistry, University of California, Berkeley, California 94720

Comments & Replies

Reply to ‘‘Comment on ‘Relativistic effects in bonding and dipole moments for the diatomic hydrides of sixth-row elements’’

G. L. Malli, N. C. Pyper, and A. F. Ramos

Phys. Rev. A 43, 2583 (1991)

Original Article

Relativistic effects in bonding and dipole moments for the diatomic hydrides of the sixth-row heavy elements

A. F. Ramos, N. C. Pyper, and G. L. Malli

Phys. Rev. A 38, 2729 (1988)

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Vol. 43, Iss. 5 — March 1991

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