Course Information


Course Information
Course Title Code Semester L+U Hour Credits ECTS
QUANTUM CHEMISTRY I 801300715470 3 + 0 3.0 8.0

Prerequisites None

Language of Instruction Turkish
Course Level Graduate Degree
Course Type Compulsory
Mode of delivery Lecture, Question-Answer, Discussion, Homework
Course Coordinator
Instructors Müşerref ÖNAL
Assistants
Goals To teach the quantum chemistry based on the mathematical and physical principles.
Course Content Mathematical principles; Abelian groups, Hilbert space, scalar product, Fourier series and integrals, algebraic operations in Hilbert space. Linear operators; matrices and differential operators. Vector analysis; coordinate systems, vector algebra, operator algebra, Laplace operator. Eigenvalue equation; eigenvalue, eigenfunction. Electromagnetism; Maxwell equations, conservation of electric charge. Particle waves; De Broglie partical-wave duality and de Broglie wave functions. Postulates; time-independent wave function, time-independent Schrödinger wave equation, orthonormality of wave functions, construction of quantum mechanical operators, Hamilton’s operator, commutative and non-commutative operators, Heisenberg uncertainty principle. The wave mechanics of some simple systems; the free particle, the particle in a box, the tunneling effect, the potential step, potential trough, harmonic osilator, rijid rotor, the one-electron atoms. Angular momentum in quantum mechanics; orbital angular momentum, spin angular momentum, orbital angular momentum operators in spherical polar coordinates, eigenvalues and eigenfunctions of angular momentum operators, spin angular momentum operators and their eigenvalues and eigenfunctions, commutation relations.
Learning Outcomes 1) The student explains the algebraic operation in Hilbert space.
2) The student makes the mathematical calculations in vector analysis.
3) The student explains the equations in classical mechanics and electromagnetism.
4) The student interprets the postulates of quantum mechanics.
5) The student solves the exactly soluble quantum mechanical systems and discusses the obtained results.
6) The student evaluates the angular momentum operators in different coordinate systems.
7) The student determines the maximum commutative operators set for a quantum mechanical system.

Weekly Topics (Content)
Week Topics Teaching and Learning Methods and Techniques Study Materials
1. Week Mathematical principles: Abelian groups, Hilbert space, scalar product, Fourier series and integrals, algebraic operations in Hilbert space. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
2. Week Linear operators: Matrices and differential operators. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
3. Week Vector analysis: Coordinate systems, vector algebra, operator algebra, Laplace operator. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
4. Week Eigenvalue equation: Eigenvalue, eigenfunction Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
5. Week Classical mechanics: Newton, Lagrange and Hamilton equations. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
6. Week Electromagnetism: Maxwell equations, conservation of electric charge. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
7. Week Particle waves: De Broglie partical-wave duality and de Broglie wave functions. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
8. Week Postulates: Time-independent wave function, time-independent Schrödinger wave equation, orthonormality of wave functions, construction of quantum mechanical operators, Hamilton’s operator, commutative and non-commutative operators, Heisenberg uncertainty principle. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
9. Week Postulates: Time-independent wave function, time-independent Schrödinger wave equation, orthonormality of wave functions, construction of quantum mechanical operators, Hamilton’s operator, commutative and non-commutative operators, Heisenberg uncertainty principle. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
10. Week The wave mechanics of some simple systems: The free particle, the particle in a box, the tunneling effect, the potential step, potential trough, harmonic osilator, rijid rotor, the one-electron atoms. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
11. Week The wave mechanics of some simple systems: The free particle, the particle in a box, the tunneling effect, the potential step, potential trough, harmonic osilator, rijid rotor, the one-electron atoms. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
12. Week The wave mechanics of some simple systems: The free particle, the particle in a box, the tunneling effect, the potential step, potential trough, harmonic osilator, rijid rotor, the one-electron atoms. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
13. Week Angular momentum in quantum mechanics: Orbital angular momentum, spin angular momentum, orbital angular momentum operators in spherical polar coordinates, eigenvalues and eigenfunctions of angular momentum operators, spin angular momentum operators and their eigenvalues and eigenfunctions, commutation relations. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)
14. Week Angular momentum in quantum mechanics: Orbital angular momentum, spin angular momentum, orbital angular momentum operators in spherical polar coordinates, eigenvalues and eigenfunctions of angular momentum operators, spin angular momentum operators and their eigenvalues and eigenfunctions, commutation relations. Lecture; Question Answer; Discussion

Presentation (Including Preparation Time)

Sources Used in This Course
Recommended Sources
Fizikokimya Problem Çözümleri; Y. Sarıkaya, Gazi Kitabevi, 10. Baskı,Ankara, 2011.
Fizikokimya; Y. Sarıkaya, Gazi Kitabevi, 10. Baskı,Ankara, 2011.
Quantum Chemistry; D. A. McQuarrie, Oxford Univ. Press, Boston, 1993.

Relations with Education Attainment Program Course Competencies
Program RequirementsContribution LevelDK1DK2DK3DK4DK5DK6DK7
PY154455544
PY254554544
PY354455444
PY454554544
PY550000000

*DK = Course's Contrubution.
0 1 2 3 4 5
Level of contribution None Very Low Low Fair High Very High
.

ECTS credits and course workload
Event Quantity Duration (Hour) Total Workload (Hour)
. 14 3
Course Duration (Total weeks*Hours per week) 14 2
Work Hour outside Classroom (Preparation, strengthening) 6 10
Homework 1 4
Activity (Web Search, Library Work, Trip, Observation, Interview etc.) 10 6
Midterm Exam 1 3
Time to prepare for Midterm Exam 1 20
Final Exam 1 3
Time to prepare for Final Exam 1 20
Total Workload
Total Workload / 30 (s)
ECTS Credit of the Course
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Course Information