Analyzing the electronic structure of molecules using Continuous Symmetry Measures

Add to your list(s) Download to your calendar using vCal

• Speaker to be confirmed
• Wednesday 24 October 2018, 11:30-12:30
• TCM Seminar Room, Cavendish Laboratory.

If you have a question about this talk, please contact Nick Woods.

Shape and symmetry are two key notions commonly used in the description of structural aspects of molecules and solids, as well as in the establishment of relations between their structure and the observed physical properties. In this context, highly symmetric geometric models such as the regular hexagon, the tetrahedron or the octahedron are routinely being applied to situations where, strictly speaking, this symmetry is not present (or only present in an approximate way). I will introduce the formalism of Continuous Symmetry Measures as a solution to this situation, discussing some of its applications to problems related to quantum chemistry such as analyzing the effects of chemical substitutions on the symmetry of the electronic structure in a family of related molecules, or the use of a pseudosymmetry group to classify the orbitals of a molecule.

This talk is part of the Electronic Structure Discussion Group series.

This talk is included in these lists:

• All Cavendish Laboratory Seminars
• All Talks (aka the CURE list)
• CamBridgeSens
• Cambridge talks
• Centre for Health Leadership and Enterprise
• Combined TCM Seminars and TCM blackboard seminar listing
• Electronic Structure Discussion Group
• Featured lists
• Lennard-Jones Centre external
• Life Science Interface Seminars
• ME Seminar
• Neurons, Fake News, DNA and your iPhone: The Mathematics of Information
• PMRFPS's
• School of Physical Sciences
• TCM Seminar Room, Cavendish Laboratory
• Thin Film Magnetic Talks
• Trust & Technology Initiative - interesting events

Note that ex-directory lists are not shown.