In some of my recent projects, e.g. the PE-ADC paper,
I got a little more into method development
surrounding the algebraic-diagrammatic construction scheme (ADC).
Even though quite a few people from the Dreuw group in Heidelberg
are involved with ADC development and we have regular talks on ADC,
I did not yet have the chance to really take a deeper look
at this method myself.
Last week I was invited to the
Franco-German Workshop on mathematical aspects in computational chemistry 2018,
where a selection of chemists and mathematicians from France and Germany
and a few other places got together to talk about their recent advances,
but most importantly to discuss.
From the ADC side I had already collected a few potential angles for improvement
in recent month and this occasion thus seemed ideal
to both brush up on my knowledge
of ADC and at the same time present on ADC.
In the spirit of such a rather hands-on-type workshop,
I only quickly glanced over the current status of ADC as an excited-states method.
Afterwards introduced common numerical procedures
and pointed at currently open problems and challenges.
From the discussions directly after the lecture as well as the
remaining days of the workshop,
a few interesting ideas emerged and I am already looking forward
to trying them out.
As per usual the slides of my talk are attached below.