Recash test site | Muir Dueholm | Activity https://recash.wpsoul.net/members/jumboswiss15/activity/ Activity feed for Muir Dueholm. Wed, 29 Jul 2026 15:08:22 +0000 https://buddypress.org/?v= en-US 30 hourly 2 38e3795d383f1339c0ba7382d2ea8658 Muir Dueholm posted an update: Extended Lagrangian Born-Oppenheimer molecular dynamics […] https://recash.wpsoul.net/activity/p/136434/ Thu, 02 Jan 2025 09:07:43 +0000 Extended Lagrangian Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008, 100, 123004] is presented for Hartree-Fock theory, where the extended electronic degrees of freedom are represented by a density matrix, including fractional occupation numbers at elevated electronic temperatures. In contrast to regular direct Born-Oppenheimer…[Read more]

]]> 0 d3e5d4aa90dbc0239799d91fc7b22dd1 Muir Dueholm became a registered member https://recash.wpsoul.net/activity/p/91160/ Fri, 20 Dec 2024 09:24:32 +0000 0