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Title: Electronic spectrum of the NpO{sub 2}{sup 2+} and NpO{sub 2}{sup +} ions

Abstract

The ground and excited states of the linear NpO{sub 2}{sup 2+} and NpO{sub 2}{sup +} ions have been calculated using relativistic spin-orbit configuration interaction methods based on effective core potentials. The f {r_arrow} f transitions and some charge-transfer transitions have been calculated for both ions and compared with experiment wherever possible. Various types of analysis are used to gain a better understanding of the types and patterns of electronic states.

Authors:
;
Publication Date:
Research Org.:
Ohio State Univ., Columbus, OH (US)
Sponsoring Org.:
USDOE
OSTI Identifier:
20034424
DOE Contract Number:  
AC06-76RL01830
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory
Additional Journal Information:
Journal Volume: 104; Journal Issue: 17; Other Information: PBD: 4 May 2000; Journal ID: ISSN 1089-5639
Country of Publication:
United States
Language:
English
Subject:
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY; NEPTUNIUM OXIDES; ELECTRONIC STRUCTURE; GROUND STATES; EXCITED STATES; L-S COUPLING

Citation Formats

Matsika, S., and Pitzer, R.M. Electronic spectrum of the NpO{sub 2}{sup 2+} and NpO{sub 2}{sup +} ions. United States: N. p., 2000. Web. doi:10.1021/jp993767q.
Matsika, S., & Pitzer, R.M. Electronic spectrum of the NpO{sub 2}{sup 2+} and NpO{sub 2}{sup +} ions. United States. doi:10.1021/jp993767q.
Matsika, S., and Pitzer, R.M. Thu . "Electronic spectrum of the NpO{sub 2}{sup 2+} and NpO{sub 2}{sup +} ions". United States. doi:10.1021/jp993767q.
@article{osti_20034424,
title = {Electronic spectrum of the NpO{sub 2}{sup 2+} and NpO{sub 2}{sup +} ions},
author = {Matsika, S. and Pitzer, R.M.},
abstractNote = {The ground and excited states of the linear NpO{sub 2}{sup 2+} and NpO{sub 2}{sup +} ions have been calculated using relativistic spin-orbit configuration interaction methods based on effective core potentials. The f {r_arrow} f transitions and some charge-transfer transitions have been calculated for both ions and compared with experiment wherever possible. Various types of analysis are used to gain a better understanding of the types and patterns of electronic states.},
doi = {10.1021/jp993767q},
journal = {Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory},
issn = {1089-5639},
number = 17,
volume = 104,
place = {United States},
year = {2000},
month = {5}
}