Abstract
The results of recent self-consistent field calculations on potassium chloride and lithium bromide are presented. Special emphasis is given to an analysis of molecular properties including nuclear quadrupole coupling constants, isotope shifts, spectroscopic constants, relativistic interactions, molecular force constants, and the electronic dipole moment.
References
25
Referenced
49
10.1063/1.1701671
/ J. Chem. Phys. (1967)10.1063/1.1701793
/ J. Chem. Phys. (1967)10.1063/1.1667926
/ J. Chem. Phys. (1968)10.1063/1.1670218
/ J. Chem. Phys. (1968)10.1147/rd.91.0002
/ IBM J. Res. Develop. (1965){'key': '2024020906433691400_r3', 'first-page': '47', 'volume': '2', 'year': '1963', 'journal-title': 'Methods Computational Phys.'}
/ Methods Computational Phys. (1963){'key': '2024020906433691400_r4', 'first-page': '9', 'volume': '1', 'year': '1967', 'journal-title': 'IBM Res. Note'}
/ IBM Res. Note (1967)10.1103/PhysRev.134.A863
/ Phys. Rev. (1964){'key': '2024020906433691400_r6'}
10.1147/rd.91.0002
/ IBM J. Res. Develop. (1965)10.1063/1.1712188
/ J. Chem. Phys. (1967)10.1103/PhysRev.108.899
/ Phys. Rev. (1957)10.1103/PhysRev.127.817
/ Phys. Rev. (1962)10.1103/PhysRev.133.A1274
/ Phys. Rev. (1964)10.1063/1.1733998
/ J. Chem. Phys. (1963)10.1016/0022-2852(64)90039-6
/ J. Mol. Spectry (1964)10.1063/1.1733596
/ J. Chem. Phys. (1963){'key': '2024020906433691400_r15', 'first-page': 'A1298', 'volume': '133', 'year': '1964', 'journal-title': 'Chem. Rev.'}
/ Chem. Rev. (1964)10.1103/PhysRev.41.721
/ Phys. Rev. (1932)10.1063/1.1724905
/ J. Chem. Phys. (1964)10.1103/PhysRev.96.629
/ Phys. Rev. (1954)10.1063/1.1670369
/ J. Chem. Phys. (1968)10.1063/1.1840447
/ J. Chem. Phys. (1967)10.1063/1.1726273
/ J. Chem. Phys. (1964){'key': '2024020906433691400_r21'}
Dates
Type | When |
---|---|
Created | 21 years, 6 months ago (Feb. 6, 2004, 3:15 p.m.) |
Deposited | 1 year, 6 months ago (Feb. 9, 2024, 2:15 a.m.) |
Indexed | 1 year, 6 months ago (Feb. 10, 2024, 2:46 a.m.) |
Issued | 55 years, 1 month ago (July 15, 1970) |
Published | 55 years, 1 month ago (July 15, 1970) |
Published Print | 55 years, 1 month ago (July 15, 1970) |
@article{Matcha_1970, title={Theoretical Analysis of the Electronic Structure and Molecular Properties of the Alkali Halides. V. Potassium Chloride and Lithium Bromide}, volume={53}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1674014}, DOI={10.1063/1.1674014}, number={2}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Matcha, Robert L.}, year={1970}, month=jul, pages={485–495} }