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Can I read All-electron relativistic SCF calculations for B and CH on EtoBox?
All-electron relativistic SCF calculations for B and CH by Kyoung Koo Baeck; Yoon Sup Lee is a Physics and Astronomy article available to read on EtoBox.
What is All-electron relativistic SCF calculations for B and CH about?
An all-electron relativistic self-consistent-field (RSCF) method for open-shell systems is developed. It is a straightforward extension of our previous RSCF calculation method for closed-shell systems and is a relativistic analog of the restricted HartreeFock method. The formalism is described for confirations with one open shell. Test calculations for B and CH are discussed. Like our closed-shell RSCF calculations, results indicate that the procedure always yields the correct non-relativistic energies, and that estimates of relativistic effects are possible even with small basis sets. Spin-orbit splittings calculated for the ground states of B and CH are 20 and 37 cm-', respectively.
Who reads All-electron relativistic SCF calculations for B and CH?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Kyoung Koo Baeck; Yoon Sup Lee
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 1988
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)