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JCC
2007
151views more  JCC 2007»
13 years 9 months ago
New parallel algorithm for MP2 energy gradient calculations
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
JCC
2007
110views more  JCC 2007»
13 years 9 months ago
Electron correlation: The many-body problem at the heart of chemistry
Abstract: The physical interactions among electrons and nuclei, responsible for the chemistry of atoms and molecules, is well described by quantum mechanics and chemistry is theref...
David P. Tew, Wim Klopper, Trygve Helgaker
COGSR
2010
74views more  COGSR 2010»
13 years 4 months ago
Two qubits for C.G. Jung's theory of personality
We propose a formalization of C.G. Jung's theory of personality using a four-dimensional Hilbert-space for the representation of two qubits. The first qubit relates to Jung&#...
Reinhard Blutner, Elena Hochnadel
SSDBM
2005
IEEE
132views Database» more  SSDBM 2005»
14 years 2 months ago
Co-Scheduling of Computation and Data on Computer Clusters
Scientific investigations have to deal with rapidly growing amounts of data from simulations and experiments. During data analysis, scientists typically want to extract subsets o...
Alexandru Romosan, Doron Rotem, Arie Shoshani, Der...
SIGUCCS
2004
ACM
14 years 2 months ago
A platform independent tool for evaluating performance of computing equipment for a computer laboratory
Designing computing equipment for a computer laboratory is not easy. In a class in a computer laboratory, it is not unusual that all students do the same thing simultaneously. Tre...
Takashi Yamanoue