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Search Publications by: Svetlana Alexandrovna Kotochigova (Assoc)

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Displaying 51 - 63 of 63

Relativistic Valence Bond Theory and Its Application to Metastable Xe 2

February 1, 2001
Author(s)
Svetlana A. Kotochigova, Eite Tiesinga, I Tupitsyn
We present a new version of the relativistic configuration interaction valence bond (RCIVB) method. It is designed to perform an ab initio all-electron relativistic electronic structure calculation for diatomic molecules. A nonorthogonal basis set is

NIST Atomic Spectra Database (1998)

November 1, 1998
Author(s)
G R. Dalton, Robert A. Dragoset, Jeffrey R. Fuhr, Daniel E. Kelleher, Svetlana A. Kotochigova, William C. Martin, Peter Mohr, Arlene Musgrove, Karen J. Olsen, Larissa Podobedova, Edward B. Saloman, J Sugar, Wolfgang L. Wiese, C S. Grant, G Eichhorn, Richard L. Kelly, T Shirai, V I. Azarov, Alexander Kramida, A N. Ryabtsev, J Blaise, J-F Wyart

Accurate Ab Initio Calculation of Molecular Constants

March 1, 1998
Author(s)
Svetlana A. Kotochigova, I Tupitsyn
The valence bond method and advanced computational technique are used to perform all-electron ab initio calculations of the electronic structure of diatomic molecules. The basic idea behind the method is to expand the molecular wavefunction in terms of

Hyperfine Structure Constants for Diatomic Molecules

March 1, 1998
Author(s)
I Tupitsyn, Svetlana A. Kotochigova
The contact term A c of magnetic hyperfine parameters as a function of internuclear distance R was computed, using the all-electron Valence-Bond method, Hartzee-Fock atomic basis set and configuration-interaction wave functions. Parameters were calculated

NIST Atomic Spectra Database

January 1, 1998
Author(s)
G R. Dalton, Robert A. Dragoset, Jeffrey R. Fuhr, Daniel E. Kelleher, Svetlana A. Kotochigova, William C. Martin, Peter Mohr, Arlene Musgrove, Karen J. Olsen, Larissa Podobedova, Edward B. Saloman, J Sugar, Wolfgang L. Wiese, C S. Grant, G Eichhorn, Richard L. Kelly, T Shirai, V I. Azarov, Alexander Kramida, A N. Ryabtsev, J Blaise, J F. Wyart

Local-density-functional calculations of the Energy of Atoms

January 1, 1997
Author(s)
Svetlana A. Kotochigova, Zachary H. Levine, Eric L. Shirley, Mark D. Stiles, Charles W. Clark
The total energies of atoms and with atomic number Ζ from 1 to 92 and singly-charge cations with Ζ from 2 to 92 have been calculated to an accuracy of 1 υHartree within four variants of the Kohn-Sham local-density approximation. The approximations