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Rainer Steiger
Rainer Steiger
Max Planck Society
Quantum
Pauli exclusion principle
Parametrization
Computational chemistry
MNDO
3
Papers
98
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Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters
2016
Journal of Chemical Theory and Computation
Pavlo O. Dral
Xin Wu
Lasse Spörkel
Axel Koslowski
Wolfgang Weber
Rainer Steiger
Mirjam Scholten
Walter Thiel
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Citations (84)
Using automatic differentiation to compute derivatives for a quantum-chemical computer program
2005
Future Generation Computer Systems
Rainer Steiger
Christian H. Bischof
Bruno Lang
Walter Thiel
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Using automatic differentiation to compute derivatives for a quantum-chemical computer program
2005
Future Generation Computer Systems
Rainer Steiger
Christian H. Bischof
Bruno Lang
Walter Thiel
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Citations (14)
1