Application of Quantum Chemistry of Atmospheric Chemistry.

reportActive / Technical Report | Accession Number: ADA147035 | Open PDF

Abstract:

Relativistic effective potentials have been generated for a number of relevant metals such as iron, neodymium, and uranium and applied to calculations of the oxide electronic states including intermediate coupling calculations of the spin-orbit interaction. Author

Author(s):
Krauss, M. ; Stevens, W. J.
Author Organization(s):
NATIONAL BUREAU OF STANDARDS GAITHERSBURG MD QUANTUM CHEMISTRY GROUP
Descriptive Note:
Annual rept. 1 Oct 83-30 Sep 84,
Pagination:
0015

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release

RECORD

Collection: TR
Identifying Numbers
Report Number(s):
AFOSR-TR-84-0860
Contract/Grant Number(s):
AFOSR-ISSA-83-00008
Task Number(s):
A4
Project Number(s):
2301
Monitor Series:
TR-84-0860
 Subject Terms
Joint Capability Areas:
JCA_6.3.3_Spectrum Management; JCA_5_Command and Control; JCA_6.3_Net Management; JCA_6_Net Centric
Modernization Areas:
Quantum Science and Computing
Communities of Interest:
Energy and Power Technologies
Descriptor(s):
*QUANTUM CHEMISTRY, *OXIDES, *ELECTRONIC STATES, *METAL COMPOUNDS, *ATMOSPHERIC CHEMISTRY, COUPLING(INTERACTION), CATIONS, VIBRATION, MODELS, SPECTROSCOPY, HIGH TEMPERATURE, VALENCE, SOLAR RADIATION, ABSORPTION SPECTRA, ENERGETIC PROPERTIES, INFRARED SPECTRA, SPIN STATES, PUMPING, IRON OXIDES, MOLECULAR ORBITALS, URANIUM COMPOUNDS, NEODYMIUM COMPOUNDS
Field(s)/Group(s):
Atmospheric Physics, Quantum Theory and Relativity
Keyword(s):
REP(Relativistic Effective Potentials), PE61102F, WUAFOSR2301A4
Report Date:
1984 Sep 30