DALTON2011 Program

Angeli, Celestino; Bak, K. L.; Bakken, V.; Christiansen, O.; Cimiraglia, Renzo; Coriani, S.; Dahle, P.; Dalskov, E. K.; Enevoldsen, T.; Fernandez, B.; Ferrighi, L.; Frediani, L.; H¨attig, C.; Hald, K.; Halkier, A.; Heiberg, H.; Helgaker, T.; Hettema, H.; Jansik, B.; Jensen, H. J. A. a.; Jonsson, D.; Jørgensen, P.; Kirpekar, S.; Klopper, W.; Knecht, S.; Kobayashi, R.; Kongsted, J.; Koch, H.; Ligabue, A.; Lutnæs, O. B.; Mikkelsen, K. V.; Nielsen, C. B.; Norman, P.; Olsen, J.; Osted, A.; Packer, M. J.; Pedersen, T. B.; Rinkevicius, Z.; Rudberg, E.; Ruden, T. A.; Ruud, K.; Sa lek, P.; Samson, C. C. M.; Sanchez de Meras, A.; Saue, T.; Sauer, S. P. A.; Schimmelpfennig, B.; Steindal, A. H.; Sylvester Hvid, K. O.; Taylor, P. R.; Vahtras, O.; Wilson, D. J.; °agren, H.

The Dalton2011 suite consists of two separate executables, DALTON and LSDALTON. The DALTON code is a powerful tool for a wide range of molecular properties at different levels of theory, whereas LSDALTON is a linear-scaling HF and DFT code suitable for large molecular systems. Any published work arising from use of one of the Dalton2011 programs must acknowledge that program by a proper reference. The following list of capabilities of the Dalton2011 programs should give you some indication of whether or not the Dalton2011 suite is able to meet your requirements.