Forces in TDDFT with a moving basis set

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

• Jessica Halliday
• Wednesday 29 January 2020, 11:30-12:30
• TCM Seminar Room, Cavendish Laboratory.

If you have a question about this talk, please contact db729.

There are various methodological choices that can be made for (TD)DFT simulations, some of which impact on the calculations to be carried out to a greater or lesser extent. This talk will discuss the implications for the atomic forces of a moving basis set as used in the SIESTA code.

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.