Computational Methods in Quantum Chemistry  127415
Will not be given the year



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 ChemistryChemical Kinetics 
124414
 ) 

or

(
  Quantum Chemistry 1 
124400
 
  
and
 Physical ChemistryChemical Kinetics 
124414
 ) 
The Variational Method for Ground and Excited States, Self Consistent Field Method for Electronic Spectrum (HartreeFock) and for VibrationalRotational Spectrum (Hartree): Numerical Integration of OneDimensional Schrodinger Equation, the RaleighSchrodinger 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