Subject: Subject Sylbus: Computational Methods in Quantum Chemistry - 127415

Computational Methods in Quantum Chemistry - 127415
Will not be given the year
Credit
Points
3.0
 
  Lecture Exercise Laboratory Project or
Seminar
House
Work
Weekly
Hours
2 2      

Determination of the grade according to progress during the semester and the submission of the final thesis


Prerequisites: ( Intr.to Quantum Chemi.and Applications 124408
and Physical Chemistry-Chemical Kinetics 124414 )
or ( Quantum Chemistry 1 124400
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