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Low-lying ionization potentials of O3 and NO2 using the multiconfigurational spin tensor electron propagator method

✍ Scribed by McKellar, Alexander J.; Yeager, Danny L.; Nichols, Jeffrey A.; Golab, Joseph T.


Book ID
120617567
Publisher
American Institute of Physics
Year
1996
Tongue
English
Weight
380 KB
Volume
105
Category
Article
ISSN
0021-9606

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With electron propagator methods, vertical ionization potentials IPs and electron affinities can be calculated directly. Our implementation, known as the Ε½ . multiconfigurational spin tensor electron propagator method MCSTEP , is specifically designed for open-shell and highly correlated initial sta