Second Quantization Techniques in Quantum Chemistry

6 EC

Semester 2, period 5

5254SQTI6Y

Owner Master Chemistry (joint degree)
Coordinator prof. dr. L. Visscher
Part of Master Chemistry (joint degree), track Molecular Sciences,

Course manual 2019/2020

Course content

Advanced Electronic Structure Methods is an advanced master course that familiarizes students with the methods of second quantization that are used in modern electronic structure theory.

Study materials

Literature

  • Molecular Electronic Structure Theory. Helgaker, Jørgensen, Olsen. Wiley 2000. Chapters 1, 2, 3, 4, 5, 15 and selection of (maximally) two other chapters.

Objectives

  • Be able to work with the techniques of second quantization
  • Be able toe analyze chemical mehods such as second quantization in terms of expected efficiency
  • Be able to discuss factors that determine accuracy, efficiency and applicability of second quantization.

Teaching methods

  • Self-study

Learning activities

Activity

Hours

Self study

168

Total

168

(6 EC x 28 uur)

Attendance

This programme does not have requirements concerning attendance (TER part B).

Assessment

Item and weight Details

Final grade

Assignments

Assignments are the exercises in the book. Feedback in the weekly tutorial sessions.

Fraud and plagiarism

The 'Regulations governing fraud and plagiarism for UvA students' applies to this course. This will be monitored carefully. Upon suspicion of fraud or plagiarism the Examinations Board of the programme will be informed. For the 'Regulations governing fraud and plagiarism for UvA students' see: www.student.uva.nl

Course structure

Weeknummer Onderwerpen Studiestof
1 Introduction to second quantization H1
2 Use of spin in second quantization H2
3 Orbital Rotations H3
4 Exact and approximate wave functions, Standard Models H4, H5
5 Choice topic 1 (to be discussed in class) Hx
6 Choice topic 2 (to be discussed in class) Hy
7 Calibration of electronic structure models H15
8 Exam (oral or written) All

Contact information

Coordinator

  • prof. dr. L. Visscher

Exact time schedule will be planned at the beginning of the course.