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SUMMARY:Forces in TDDFT with a moving basis set - Jessica Halliday
DTSTART:20200129T113000Z
DTEND:20200129T123000Z
UID:TALK138898@talks.cam.ac.uk
CONTACT:77905
DESCRIPTION:There are various methodological choices that can be made for 
 (TD)DFT simulations\, some of which impact on the calculations to be carri
 ed out to a greater or lesser extent. This talk will discuss the implicati
 ons for the atomic forces of a moving basis set as used in the SIESTA code
 .\n
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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