Course in Quantum Chemistry and Structure of Molecules
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The manual discusses the nature of chemical bonding, wave functions and energy levels of light atoms, the positions of group theory used in quantum chemistry, the theory of directed valences . A detailed description of the main methods of quantum chemistry: method of valence schemes for main and excited states, method of molecular orbits for diatomic molecules, molecules with conjugate and saturated bonds, method of self-consistent field (Hartree-Fock, Ruutaan, Poplar equations), method of configuration interaction. Many examples and tables of parameters most commonly used in calculations. are given.
LF/656603268/R
Data sheet
- Name of the Author
- Александр Константинович
Блюменфельд
Кукушкин
Лев Александрович
авт - Language
- Russian
- Release date
- 1980
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The manual discusses the nature of chemical bonding, wave functions and energy levels of light atoms, the positions of group theory used in quantum chemistry, t...