β Scribed by Claus Bendtsen; Per Christian Hansen; Kaj Madsen; Hans Bruun Nielsen; Mustafa Pinar
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A new direct second-order Moller-Plesset gradient algorithm is presented. By avoiding generation of molecular orbital integrals with three virtual indices, the memory requirement for a calculation with n basis functions and o occupied orbitals is reduced to on 2, and overall computational savings ar
Visibility analysis algorithms use digital elevation models OEMs), which represent terrain topography, to determine visibility at each point on the terrain from a given location in space. This analysis can be computationally very demanding, particularly when manipulating high resolution DEMs accurat
Dedicated to the late M. R. B. Clarke SUMMARY Efficient algorithms for estimating the coefficient parameters of the ordinary linear model on a massively parallel SIMD computer are presented. The numerical stability of the algorithms is ensured by using orthogonal transformations in the form of House
A parallel full configuration interaction FCI code, implemented on a distributed memory MPP computer, has been modified in order to use a direct algorithm to compute the lists of mono-and biexcitations each time they are needed. We were able to perform FCI calculations on the ground state of the ace