Sommerfeld Theory Colloquium (ASC)

Can we tame the electronic Schrödinger equation?


Listen Later

One of the major problems of computational chemistry is the ab initio prediction of energies and properties of molecules. The electronic Schrödinger equations provides the in-principle solution, but because of intrinsic difficulties associated with the singular and long-ranged Coulomb interaction, this remains an extremely challenging task numerically. Here we outline a formalism called transcorrelation which provides a route out of the difficulties, whilst itself creating new problems (which have stumped the community for decades). We outline our work of the past few years in tackling these new problems, and show that the formalism has the potential to transform our ability to solve the Schrödinger problem in a general manner. In particular, by eliminating the Coulomb singularities, we show we can achieve both basis-set converged results, as well as thermodynamic limit results, with far fewer resources and less sophisticated many-body theories. Prospects to extend this methodology in the context of quantum computing will also be mentioned.
...more
View all episodesView all episodes
Download on the App Store

Sommerfeld Theory Colloquium (ASC)By Michael Haack

  • 4.5
  • 4.5
  • 4.5
  • 4.5
  • 4.5

4.5

2 ratings


More shows like Sommerfeld Theory Colloquium (ASC)

View all
Into the Impossible With Brian Keating by Big Bang Productions Inc.

Into the Impossible With Brian Keating

1,064 Listeners

Hegel lectures by Robert Brandom, LMU Munich by Robert Brandom, Axel Hutter

Hegel lectures by Robert Brandom, LMU Munich

6 Listeners

MCMP – Philosophy of Science by MCMP Team

MCMP – Philosophy of Science

1 Listeners

MCMP – Mathematical Philosophy (Archive 2011/12) by MCMP Team

MCMP – Mathematical Philosophy (Archive 2011/12)

6 Listeners

Sommerfeld Lecture Series (ASC) by The Arnold Sommerfeld Center for Theoretical Physics (ASC)

Sommerfeld Lecture Series (ASC)

0 Listeners

John Lennox - Hat die Wissenschaft Gott begraben? by Professor John C. Lennox, University of Oxford

John Lennox - Hat die Wissenschaft Gott begraben?

4 Listeners

LMU Physik 2 für Chemiker (PN2) SS2016 by Prof. Dr. Jan Lipfert

LMU Physik 2 für Chemiker (PN2) SS2016

0 Listeners

MCMP – Philosophy of Physics by MCMP Team

MCMP – Philosophy of Physics

3 Listeners

Fakultät für Mathematik, Informatik und Statistik - Digitale Hochschulschriften der LMU - Teil 01/02 by Ludwig-Maximilians-Universität München

Fakultät für Mathematik, Informatik und Statistik - Digitale Hochschulschriften der LMU - Teil 01/02

1 Listeners

Why This Universe? by Dan Hooper, Shalma Wegsman

Why This Universe?

390 Listeners

ISCB34 - 34th Annual Conference of the International Society for Clinical Biostatistics - Munich, 25-29 August 2013 by Prof. Dr. rer. nat. Ulrich Mansmann

ISCB34 - 34th Annual Conference of the International Society for Clinical Biostatistics - Munich, 25-29 August 2013

0 Listeners