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2004
Mark Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
Schutz, M ; Werner, H J ; Lindh, Roland ^LU and Manby, F R (2004) In Journal of Chemical Physics 121(2). p.737-750
- Contribution to journal › Article
2003
Mark Semidirect parallel self-consistent field: the load balancing problem in the input/output intensive self-consistent field iterations
Lindh, Roland ^LU ; Krogh, Jesper Wisborg ^LU ; Schutz, M and Hirao, K (2003) In Theoretical Chemistry Accounts 110(3). p.156-164
- Contribution to journal › Article
2002
Mark The ammonia dimer equilibrium dissociation energy: convergence to the basis set limit at the correlated level
Stalring, L ; Schutz, M ; Lindh, Roland ^LU ; Karlström, Gunnar ^LU and Widmark, Per-Olof ^LU (2002) In Molecular Physics 100(21). p.3389-3399
- Contribution to journal › Article