Course - Physical chemistry: molecular structure - KJ1041
KJ1041 - Physical chemistry: molecular structure
About
Examination arrangement
Examination arrangement
Examination arrangement: Oral examination
Grade: Letters
Term:
Spring
| Evaluation | Weighting | Duration | Examination aids |
|---|---|---|---|
| Oral exam | 100/100 | 1 hours |
Course content
The course consists of a theoretical and a practical part.
Theoretical part:
- Introduction to quantum mechanics via simple model systems
-Connection between quantum mechanics and thermodynamics
- Atomic structure
- Born-Oppenheimer approximation and molecular orbital theory
- Pauli principle and electron spin
- Symmetry of molecules and elementary group theory
- Electronic transitions
- Theoretical background for rotational, vibrational and electronic spectroscopy
- Chemical reactions and chemical kinetics
Practical part:
-Use of software to quantum chemical calculations
Learning outcome
After finishing the course, the student is expected to:
- Account for fundamental principles in quantum chemistry, such as energy levels and structure of atoms and molecules
- Account for and the application of molecular orbital models.
- Connect various energies of the molecule to spectroscopi methods
- Apply quantum chemical methods to describe experimental observables such as molecular strcuture and heat capacity
- Apply elementary group theory to describe molecular symmetry and properties like dipolmoments and allowed/forbidden transitions.
- Apply and solve simple kinetic models for elementary processes
- Apply numerical modelling of molecular properties by use of python programming and existing qjuantum chemical softwares.
Learning methods and activities
Lectures (4 hours per week)), mandatory exercises (2 hours per week), two semester exams. 8 of 12 exercises have to be approved before final examination. Several exercises and the semester exams require the use of python programming and application of quantum chemical software.
The semester exams will count for 5% of the grade in the course each. The results for the course will be assigned a letter grade, and the written exam counts for 90% of the grade. For re-sit exam or exam during a term without lectures in this course, written examination may be changed to oral examination.
Compulsory assignments
- Laboratory course
- Exercises
Further on evaluation
Only final written exam (4 hours) must be retaken.
Recommended previous knowledge
Basic knowledge of mathematics and chemistry at a university level.
Course materials
P.W. Atkins: Physical Chemistry, 11. ed., Oxford Univ. Press, Oxford, 2018. Lecture notes and exercises.
Credit reductions
| Course code | Reduction | From | To |
|---|---|---|---|
| TKJ4166 | 7.5 | ||
| TKJ4160 | 3.0 | ||
| KJ1040 | 2.0 |
No
Version: 1
Credits:
7.5 SP
Study level: Foundation courses, level I
Term no.: 1
Teaching semester: AUTUMN 2020
Language of instruction: Norwegian
Location: Trondheim
- Materials Science and Solid State Physics
- Physical Chemistry
- Chemical Engineering
- Chemistry