Search result: Catalogue data in Spring Semester 2018

Doctoral Department of Chemistry and Applied Biosciences Information
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Doctoral and Post-Doctoral Courses
Doctoral Studies in Physical Chemistry
NumberTitleTypeECTSHoursLecturers
402-0551-00LLaser SeminarE-0 credits1ST. Esslinger, J. Faist, J. Home, A. Imamoglu, U. Keller, F. Merkt, H. J. Wörner
AbstractResearch colloquium
Objective
529-0427-00LElectron Spectroscopy Restricted registration - show details W1 credit2SF. Merkt
AbstractGroup seminar on electronic spectroscopy, photoelectron spectroscopy, vacuum ultraviolet spectroscopy.
ObjectiveGroup seminar on electronic spectroscopy, photoelectron spectroscopy, vacuum ultraviolet spectroscopy.
ContentGroup seminar on electronic spectroscopy, photoelectron spectroscopy, vacuum ultraviolet spectroscopy.
Prerequisites / NoticeParticipation to this seminar must be discussed with the lecturer.
529-0460-00LComputer SimulationE-0 credits1SP. H. Hünenberger, S. Riniker
AbstractGroup meeting
ObjectiveGroup meeting
Prerequisites / NoticeGroup meeting
529-0474-00LQuantum ChemistryW6 credits3GM. Reiher, T. Weymuth
AbstractIntroduction 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.
ObjectiveNowadays, 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).
ContentBasic 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 notesHand outs will be provided for each lecture (they are supplemented by (computer) examples that continuously illustrate how the theory works).
LiteratureTextbooks 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 / NoticeBasic knowledge in quantum mechanics (e.g. through course physical chemistry III - quantum mechanics) required
529-0490-00LSpecial Topics in Theoretical ChemistryE-0 credits1SM. Reiher
AbstractWeekly seminar programme on special topics in theoretical and quantum chemistry. Talks delivered by PhD students and PostDocs as well as by external speakers.
Objectiveadvanced course for PhD students and other co-workers
Contentvariiert je nach Forschungslage
Lecture notesnone
529-0491-00LSeminar in Computational Chemistry C4E-0 credits2SM. Reiher, P. H. Hünenberger, S. Riniker
AbstractResearch seminar with invited lecturers
Objective
529-0479-00LTheoretical Chemistry, Molecular Spectroscopy and DynamicsW1 credit2SF. Merkt, M. Quack, M. Reiher, J. Richardson, R. Signorell, H. J. Wörner
AbstractSeminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar)
ObjectiveSeminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar)
529-0480-00LNuclear Magnetic Resonance Seminar Restricted registration - show details E-0 credits2SB. H. Meier
AbstractDiscussion of relevant new developments in the field of nuclear magnetic resonance
ObjectiveDiscussion of relevant new developments in the field of nuclear magnetic resonance
ContentCurrent research problems in solid-state magnetic resonance.
529-0495-00LSeminar on Special Problems in Physical ChemistryW1 credit3SM. Quack
AbstractTreatment of selected problems of physical chemistry.
ObjectiveUnderstanding and ability to treat selected problems of physical chemistry.
ContentSelected problems of physical chemistry (Research Seminar).
529-0499-00LPhysical ChemistryW1 credit1KB. 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
AbstractSeminar series covering current developments in Physical Chemistry
Objective
529-0462-00LCold Molecules: Methods and ApplicationsZ1 credit1VS. Hogan
AbstractThis 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.
ObjectiveThe 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.
ContentKeywords: 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.
529-0484-00LInstrumentation and Measurement Restricted registration - show details W2 credits2PB. H. Meier
AbstractBasic concepts of electronic measurement technology, RF- and Microwave technology and digital circuits.
ObjectiveEinführung in die elektronische Messtechnik, die Radiofrequenz- und Mikrowellentechnologie und in die Digitalelektronik.
Lecture notesUnterlagen in der ersten Stunde verteilt.
Prerequisites / NoticeZugang mit Bewilligung des Dozenten
529-0477-00LMolecular Quantum Dynamics Restricted registration - show details Z0 credits1VR. Marquardt
AbstractThis 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.
ObjectiveGoals 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.
ContentThe 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 notesA program and handouts can be downloaded from the indicated web site or will be delivered in the first session. Handouts are in English.
LiteratureA 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 / NoticeA solid knowledge in quantum mechanics is helpful, but not a condition to assist the lecture.
529-0470-00LLiterature Seminar in Theoretical Chemistry Information Z0 credits2SM. Reiher
AbstractIn depth study of selected recent papers on theoretical chemistry
ObjectiveDoktorats- und Mitarbeiterschulung
ContentVariiert nach aktuellem Stand der Forschung
LiteratureWill be announced on Link
529-0809-00LTheoretical Chemistry Seminar Information E-0 credits2SM. Reiher, J. Richardson
AbstractSeminar on recent developments in Theoretical Chemistry presented by guest speakers.
ObjectiveDoktorats- und Mitarbeiterschulung
ContentVariiert nach aktuellem Stand der Forschung
LiteratureWill be announced on Link
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