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- Ville Havu, Juhani PitkÃ¤ranta
- Math. Comput.
- 2003

We consider a bilinear reduced-strain finite element of the MITC family for a shallow Reissner-Naghdi type shell. We estimate the consistency error of the element in both membraneandâ€¦ (More)

- Volker Blum, Ralf Gehrke, +5 authors Matthias Scheffler
- Computer Physics Communications
- 2009

a r t i c l e i n f o a b s t r a c t Keywords: Ab initio molecular simulations Density-functional theory Atom-centered basis functions Hartreeâ€“Fock MP2 O(N) DFT GW self-energy We describe a completeâ€¦ (More)

- Ville Havu, Volker Blum, Paula Havu, Matthias Scheffler
- J. Comput. Physics
- 2009

We consider the problem of developing O(N) scaling grid based operations needed in many central operations when performing electronic structure calculations with numeric atomcentered orbitals asâ€¦ (More)

- Lauri Lehtovaara, Ville Havu, Martti J Puska
- The Journal of chemical physics
- 2009

We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite-element bases. Our meshâ€¦ (More)

- Ville Havu, Juhani PitkÃ¤ranta
- Numerische Mathematik
- 2001

Weconsider the bilinear finite element approximation of smooth solutions to a simple parameter dependent elliptic model problem, the problem of highly anisotropic heat conduction. We show that underâ€¦ (More)

- Lauri Lehtovaara, Ville Havu, Martti J Puska
- The Journal of chemical physics
- 2011

We present an all-electron method for time-dependent density functional theory which employs hierarchical nonuniform finite-element bases and the time-propagation approach. The method is capable ofâ€¦ (More)

- Ville Havu, Jarmo Malinen
- 2005

We interpret the Cayley transform of linear (finiteor infinite-dimensional) state space systems as a numerical integration scheme of Crankâ€“Nicolson type. If such a scheme is applied to a conservativeâ€¦ (More)

- Ari OjanperÃ¤, Ville Havu, Lauri Lehtovaara, Martti J Puska
- The Journal of chemical physics
- 2012

We derive equations for nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave (PAW) formalism. The discretization of the electrons is time-dependent as the augmentationâ€¦ (More)

- Ville Havu, Juhani PitkÃ¤ranta
- Math. Comput.
- 2002

We consider a bilinear reduced-strain nite element formulation for a shallow shell model of Reissner-Naghdi type. The formulation is closely related to the facet models used in engineering practice.â€¦ (More)

- Ville Virkkala, Ville Havu, Filip Tuomisto, Martti J Puska
- 2014