Accurate Analytical Self-Consistent-Field Wave Functions for <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msup><mrow><mi mathvariant="normal">Ag</mi></mrow><mrow><mo>+</mo></mrow></msup></mrow></math></span>

M. Synek; P. Grossgut; F. Schmitz

doi:10.1103/PhysRev.178.73

Access by Xinjiang University

Accurate Analytical Self-Consistent-Field Wave Functions for ${Ag}^{+}$

M. Synek and P. Grossgut

F. Schmitz

Department of Physics, Texas Christian University, Fort Worth, Texas

Department of Physics, DePaul University, Chicago, Illinois

PDF

Phys. Rev. 178, 73 – Published 5 February, 1969

DOI: https://doi.org/10.1103/PhysRev.178.73

Abstract

Self-consistent-field calculations by the analytical expansion method were carried out for the ground state of ${Ag}^{+} (Z = 47)$ , $4 d^{10}$ , ${}^{1}S$ . All the expansion basis sets were selected so as to satisfy precisely the cusp condition. The deviations from the tail nodal extinction for the radial functions $P_{i λ} (r)$ do not exceed 0.000 08. The results represent the most accurate analytical wave functions for ${Ag}^{+}$ available.

References (15)

J. Malinowski, Contemp. Phys. 8, 285 (1967) H. E. Spencer, L. E. Brady, and J. F. Hamilton, J. Opt. Soc. Am. 57, 1020 (1967) H. E. Spencer and D. H. Shares, ibid., 57, 508 (1967)
J.-L. Calais, private communication G. Petterson, J. Vallin, J.-L. Calais, and K. Mansikka, Arkiv Fysik 34, 371 (1967) J. Vallin, ibid. 34, 367 (1967)
C. C. J. Roothaan and M. Synek, Phys. Rev. 133, A1263 (1964)
C. C. J. Roothaan and P. S. Bagus, in Methods in Computational Physics, edited by B. Alder, S. Fernbach, and M. Rotenberg (Academic Press Inc., New York, 1963), Vol. 2
Omitted endnote
D. R. Hartree, The Calculation of Atomic Structures (John Wiley & Sons, Inc., New York, 1957)
M. Synek, A. E. Rainis, and E. A. Peterson, J. Chem. Phys. 46, 2039 (1967)
Omitted endnote
P.-O. Löwdin, Phys. Rev. 94, 1600 (1954) C. C. J. Roothaan, L. M. Sachs, and A. W. Weiss, Rev. Mod. Phys. 32, 186 (1960) C. C. J. Roothaan and P. S. Kelly, Phys. Rev. 131, 1177 (1963) ibid.133, I1 (E) (1964)
P.-O. Löwdin, J. Mol. Spectry. 3, 46 (1959)
M. M. Black, Mem. Proc. Manchester Lit. Phil. Soc. 79, 29 (1935)
M. Synek, A. E. Rainis, and C. C. J. Roothaan, Phys. Rev. 141, 174 (1966)
B. H. Worsley, Proc. Roy. Soc. (London) A247, 390 (1958)
Omitted endnote
M. Synek and F. Schmitz, Phys. Letters 27A, 349 (1968)

[c1] J. Malinowski, Contemp. Phys. 8, 285 (1967) H. E. Spencer, L. E. Brady, and J. F. Hamilton, J. Opt. Soc. Am. 57, 1020 (1967) H. E. Spencer and D. H. Shares, ibid., 57, 508 (1967)

[c2] J.-L. Calais, private communication G. Petterson, J. Vallin, J.-L. Calais, and K. Mansikka, Arkiv Fysik 34, 371 (1967) J. Vallin, ibid. 34, 367 (1967)

[c3] C. C. J. Roothaan and M. Synek, Phys. Rev. 133, A1263 (1964)

[c4] C. C. J. Roothaan and P. S. Bagus, in Methods in Computational Physics, edited by B. Alder, S. Fernbach, and M. Rotenberg (Academic Press Inc., New York, 1963), Vol. 2

[c5] Omitted endnote

[c6] D. R. Hartree, The Calculation of Atomic Structures (John Wiley & Sons, Inc., New York, 1957)

[c7] M. Synek, A. E. Rainis, and E. A. Peterson, J. Chem. Phys. 46, 2039 (1967)

[c8] Omitted endnote

[c9] P.-O. Löwdin, Phys. Rev. 94, 1600 (1954) C. C. J. Roothaan, L. M. Sachs, and A. W. Weiss, Rev. Mod. Phys. 32, 186 (1960) C. C. J. Roothaan and P. S. Kelly, Phys. Rev. 131, 1177 (1963) ibid.133, I1 (E) (1964)

[c10] P.-O. Löwdin, J. Mol. Spectry. 3, 46 (1959)

[c11] M. M. Black, Mem. Proc. Manchester Lit. Phil. Soc. 79, 29 (1935)

[c12] M. Synek, A. E. Rainis, and C. C. J. Roothaan, Phys. Rev. 141, 174 (1966)

[c13] B. H. Worsley, Proc. Roy. Soc. (London) A247, 390 (1958)

[c14] Omitted endnote

[c15] M. Synek and F. Schmitz, Phys. Letters 27A, 349 (1968)

Physical Review Journals Archive

Export citation

Export citation

Accurate Analytical Self-Consistent-Field Wave Functions for ${Ag}^{+}$

Abstract

References (15)

Outline

Information

Filter

Filter

Article Lookup

Enter a citation

Accurate Analytical Self-Consistent-Field Wave Functions for Ag+

Abstract

References (15)

Accurate Analytical Self-Consistent-Field Wave Functions for ${Ag}^{+}$