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 2020/2021

Study materials

Literature

  • Molecular Electronic Structure Theory

  • Helgaker, Jørgensen, Olsen

  • Wiley, online version DOI:10.1002/9781119019572

Objectives

  • Be able to work with the techniques of second quantization
  • Be able to 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.

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

1 (100%)

Final Exam

Mandatory

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

Second Quantization

 Chapter 1
2

Spin and second quantization

 Chapter 2
3 Orbital Rotations Chapter 3
4 Exact and approximate wave functions Chapters 4 and 5
5 Choice Topic 1 to be decided
6 Choice Topic 2 to be decided
7 llibration of Methods Chapter 15
8 Exam  

Additional information

In week 5 and 6 we will treat one or two choice topics. This will be decided by the participating students. Possibilities chosen in prevous years were: Coupled Cluster and Perturbation Theory, Basis sets and Integral Evaluation, Configuration Interaction and Coupled Cluster Theory. This typically comprises two chapters of the textbook.

Contact information

Coordinator

  • prof. dr. L. Visscher