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Determination of the third derivatives of the dipole moment function of CO2

โœ Scribed by O. K. Voitsekhovskaya; O. N. Sulakshina


Book ID
112645154
Publisher
Springer
Year
1983
Tongue
English
Weight
205 KB
Volume
26
Category
Article
ISSN
1573-9228

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The quality of first-order properties as energy derivatives or expectation values is investigated in calculations on the electric dipole moment of CO, employing averaged coupled pair functional (ACPF) and multireference single and double excitation configuration interaction (MRSDCI) methods. A caref