Computational Methods in Quantum Chemistry - 127415
Will not be given the year
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Lecture |
Exercise |
Laboratory |
Project or
Seminar |
House
Work |
Weekly
Hours |
2 |
2 |
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Determination of the grade according to progress during the semester and the submission of the final thesis
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Prerequisites:
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(
| | Intr.to Quantum Chemi.and Applications |
124408
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and
| Physical Chemistry-Chemical Kinetics |
124414
| ) |
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or
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(
| | Quantum Chemistry 1 |
124400
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| | |
and
| Physical Chemistry-Chemical Kinetics |
124414
| ) |
The Variational Method for Ground and Excited States, Self Consistent Field Method for Electronic Spectrum (Hartree-Fock) and for Vibrational-Rotational Spectrum (Hartree): Numerical Integration of One-Dimensional Schrodinger Equation, the Raleigh-Schrodinger Perturbation Theory Within the Framework of Finite Matrix Approximation and Methods to Calculate the Radius of Convergence of the Perturbation Series.
The Students Will Exercise the Theoretical Aspects of the Topics Studied by Writing Computer Programs.
Created in 08/03/2021 Time 12:06:04
