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Accurate vertical ionization potentials of CH2, NH2, and H2O using the multiconfigurational spin tensor electron propagator method (MCSTEP)

✍ Scribed by Yeager, Danny L.


Book ID
120990610
Publisher
American Institute of Physics
Year
1996
Tongue
English
Weight
443 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