Jon Austad

• Reimann, Sarah; Borgoo, Alex; Austad, Jon; Tellgren, Erik; Teale, Andrew Michael; Helgaker, Trygve & Stopkowicz, Stella (2019). Kohn–Sham energy decomposition for molecules in a magnetic field. Molecular Physics.  ISSN 0026-8976.  117(1), s 97- 109 . doi: 10.1080/00268976.2018.1495849

Se alle arbeider i Cristin

• Tellgren, Erik; Lange, Kai Kaarvann; Sagvolden, Espen; Kvaal, Simen; Austad, Jon; Reimann, Sarah; Borgoo, Alex; Fliegl, Heike; Sen, Sangita & Helgaker, Trygve (2018). Quantum chemistry for strong magnetic fields.
• Austad, Jon (2014). Møller-Plesset Perturbation Theory With and without laplace transform ansatz in strong msagnetic Fields using London type orbitals.
• Austad, Jon Henriksen (2013). Møller-Plesset theory to second order for the study of molecuar systems in finite magnetic fields. Vis sammendrag

  London orbitals allows for non-perturbative treatment of magnetic fields. This can be used to explore how molecules behave in very strong finite magnetic fields, and also be used to probe complicated magnetic properties like hypermagnetizability without resorting to response theory. Classical MP2 and an atomic orbital based variant of MP2 with a Laplace transform ansatz were introduced to the London program, and successfully used to perform different quantum chemical calculations entailing magnetic fields of finite size.

Se alle arbeider i Cristin