Search result: Catalogue data in Spring Semester 2018
Doctoral Department of Chemistry and Applied Biosciences For further information: Link | ||||||
Doctoral and Post-Doctoral Courses | ||||||
Doctoral Studies in Physical Chemistry | ||||||
Number | Title | Type | ECTS | Hours | Lecturers | |
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402-0551-00L | Laser Seminar | E- | 0 credits | 1S | T. Esslinger, J. Faist, J. Home, A. Imamoglu, U. Keller, F. Merkt, H. J. Wörner | |
Abstract | Research colloquium | |||||
Objective | ||||||
529-0427-00L | Electron Spectroscopy | W | 1 credit | 2S | F. Merkt | |
Abstract | Group seminar on electronic spectroscopy, photoelectron spectroscopy, vacuum ultraviolet spectroscopy. | |||||
Objective | Group seminar on electronic spectroscopy, photoelectron spectroscopy, vacuum ultraviolet spectroscopy. | |||||
Content | Group seminar on electronic spectroscopy, photoelectron spectroscopy, vacuum ultraviolet spectroscopy. | |||||
Prerequisites / Notice | Participation to this seminar must be discussed with the lecturer. | |||||
529-0460-00L | Computer Simulation | E- | 0 credits | 1S | P. H. Hünenberger, S. Riniker | |
Abstract | Group meeting | |||||
Objective | Group meeting | |||||
Prerequisites / Notice | Group meeting | |||||
529-0474-00L | Quantum Chemistry | W | 6 credits | 3G | M. Reiher, T. Weymuth | |
Abstract | Introduction into the basic concepts of electronic structure theory and into numerical methods of quantum chemistry. Exercise classes are designed to deepen the theory; practical case studies using quantum chemical software to provide a 'hands-on' expertise in applying these methods. | |||||
Objective | Nowadays, chemical research can be carried out in silico, an intellectual achievement for which Pople and Kohn have been awarded the Nobel prize of the year 1998. This lecture shows how that has been accomplished. It works out the many-particle theory of many-electron systems (atoms and molecules) and discusses its implementation into computer programs. A complete picture of quantum chemistry shall be provided that will allow students to carry out such calculations on molecules (for accompanying experimental work in the wet lab or as a basis for further study of the theory). | |||||
Content | Basic concepts of many-particle quantum mechanics. Derivation of the many-electron theory for atoms and molecules; starting with the harmonic approximation for the nuclear problem and with Hartree-Fock theory for the electronic problem to Moeller-Plesset perturbation theory and configuration interaction and to coupled cluster and multi-configurational approaches. Density functional theory. Case studies using quantum mechanical software. | |||||
Lecture notes | Hand outs will be provided for each lecture (they are supplemented by (computer) examples that continuously illustrate how the theory works). | |||||
Literature | Textbooks on Quantum Chemistry: F.L. Pilar, Elementary Quantum Chemistry, Dover Publications I.N. Levine, Quantum Chemistry, Prentice Hall Hartree-Fock in basis set representation: A. Szabo and N. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, McGraw-Hill Textbooks on Computational Chemistry: F. Jensen, Introduction to Computational Chemistry, John Wiley & Sons C.J. Cramer, Essentials of Computational Chemistry, John Wiley & Sons | |||||
Prerequisites / Notice | Basic knowledge in quantum mechanics (e.g. through course physical chemistry III - quantum mechanics) required | |||||
529-0490-00L | Special Topics in Theoretical Chemistry | E- | 0 credits | 1S | M. Reiher | |
Abstract | Weekly seminar programme on special topics in theoretical and quantum chemistry. Talks delivered by PhD students and PostDocs as well as by external speakers. | |||||
Objective | advanced course for PhD students and other co-workers | |||||
Content | variiert je nach Forschungslage | |||||
Lecture notes | none | |||||
529-0491-00L | Seminar in Computational Chemistry C4 | E- | 0 credits | 2S | M. Reiher, P. H. Hünenberger, S. Riniker | |
Abstract | Research seminar with invited lecturers | |||||
Objective | ||||||
529-0479-00L | Theoretical Chemistry, Molecular Spectroscopy and Dynamics | W | 1 credit | 2S | F. Merkt, M. Quack, M. Reiher, J. Richardson, R. Signorell, H. J. Wörner | |
Abstract | Seminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar) | |||||
Objective | Seminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar) | |||||
529-0480-00L | Nuclear Magnetic Resonance Seminar | E- | 0 credits | 2S | B. H. Meier | |
Abstract | Discussion of relevant new developments in the field of nuclear magnetic resonance | |||||
Objective | Discussion of relevant new developments in the field of nuclear magnetic resonance | |||||
Content | Current research problems in solid-state magnetic resonance. | |||||
529-0495-00L | Seminar on Special Problems in Physical Chemistry | W | 1 credit | 3S | M. Quack | |
Abstract | Treatment of selected problems of physical chemistry. | |||||
Objective | Understanding and ability to treat selected problems of physical chemistry. | |||||
Content | Selected problems of physical chemistry (Research Seminar). | |||||
529-0499-00L | Physical Chemistry | W | 1 credit | 1K | B. H. Meier, M. Ernst, P. H. Hünenberger, G. Jeschke, F. Merkt, M. Reiher, J. Richardson, R. Riek, S. Riniker, T. Schmidt, R. Signorell, H. J. Wörner | |
Abstract | Seminar series covering current developments in Physical Chemistry | |||||
Objective | ||||||
529-0462-00L | Cold Molecules: Methods and Applications | Z | 1 credit | 1V | S. Hogan | |
Abstract | This course will cover the properties and interactions that are of importance in gas-phase molecular samples at temperatures below 1 K, together with methods for the preparation of these samples. Particular topics treated will include (1) ultracold akali dimers, (2) cold polar molecules, and molecular radicals, (3) cold Rydberg molecules, and (4) cold molecular ions. | |||||
Objective | The aim of the course is to provide those attending with a solid understanding of the properties and interactions that are of importance in gas-phase molecular samples at temperatures below 1 K, and with a knowledge of methods for the preparation of these samples. | |||||
Content | Keywords: Cold molecules, photoassociation, magnetoassociation, polar molecules, multistage Stark deceleration, radicals, multistage Zeeman deceleration, molecules in high Rydberg states, Rydberg-Stark deceleration, cold molecular ions, ion-molecule reactions. | |||||
529-0484-00L | Instrumentation and Measurement | W | 2 credits | 2P | B. H. Meier | |
Abstract | Basic concepts of electronic measurement technology, RF- and Microwave technology and digital circuits. | |||||
Objective | Einführung in die elektronische Messtechnik, die Radiofrequenz- und Mikrowellentechnologie und in die Digitalelektronik. | |||||
Lecture notes | Unterlagen in der ersten Stunde verteilt. | |||||
Prerequisites / Notice | Zugang mit Bewilligung des Dozenten | |||||
529-0477-00L | Molecular Quantum Dynamics | Z | 0 credits | 1V | R. Marquardt | |
Abstract | This lecture covers advanced topics in ultra-fast time resolved molecular spectroscopy and kinetics. Although primarily theoretical, and focused on quantum phenomena, contents include the discussion of certain modern experimental techniques. | |||||
Objective | Goals are: acquirement of the basic knowledge in modern, ultra-fast Spectroscopy and chemical kinetics and of some knowledge of theoretical methods currently used to interpret experimental data; exercise the interpretation of computational results related to molecular quantum dynamics on selected examples and discussion of the problems involved. | |||||
Content | The lecture is intended to be a brief introduction to essential aspects regarding quantum dynamics, in particular regarding molecular physics and the primary steps of chemical reactions. It proposes also an introduction to the methods and computational algorithms used in the theoretical treatment of molecular quantum dynamics, in particular of short time propagation of wave packets. A practical course in handling computer programs specifically devised for quantum dynamics is offered. | |||||
Lecture notes | A program and handouts can be downloaded from the indicated web site or will be delivered in the first session. Handouts are in English. | |||||
Literature | A program of the lecture as well as lecture notes in English containing a detailed literature list will be distributed before the 1st session. These documents contain a detailed list of specific publications. The short literature list given below is helpful in assisting the lecture. The website Link offers a view on a widely used computer program. R. D. Levine and R. B. Bernstein. Molecular Reaction Dynamics and Chemical Reactivity. Oxford University Press, New York, Oxford, 1987. D. J. Tannor. Introduction to Quantum Mechanics: A time dependent perspective. University Science Books, Sausalito (California), 2007. H.-D. Meyer, F. Gatti, and G. A. Worth. Multidimensional Quantum Dynamics. Wiley-VCH, Weinheim, 2009. | |||||
Prerequisites / Notice | A solid knowledge in quantum mechanics is helpful, but not a condition to assist the lecture. | |||||
529-0470-00L | Literature Seminar in Theoretical Chemistry | Z | 0 credits | 2S | M. Reiher | |
Abstract | In depth study of selected recent papers on theoretical chemistry | |||||
Objective | Doktorats- und Mitarbeiterschulung | |||||
Content | Variiert nach aktuellem Stand der Forschung | |||||
Literature | Will be announced on Link | |||||
529-0809-00L | Theoretical Chemistry Seminar | E- | 0 credits | 2S | M. Reiher, J. Richardson | |
Abstract | Seminar on recent developments in Theoretical Chemistry presented by guest speakers. | |||||
Objective | Doktorats- und Mitarbeiterschulung | |||||
Content | Variiert nach aktuellem Stand der Forschung | |||||
Literature | Will be announced on Link |
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