Analytical gradients of a state average MCSCF state and a state average diagnostic

By Sta˚lring Jonna   Bernhardsson Anders   Lindh Roland  

Molecular Physics, Vol. 99, Iss. 2, 2001-01 ,pp. : 103-114

Taylor & Francis Ltd

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Improving the performance of direct coupled cluster analytical gradients algorithms

By Perera S. Ajith   Rozyczko Piotr B.   Bartlett Rodney J   Hirata So  

Molecular Physics, Vol. 103, Iss. 15-16, 2005-08 ,pp. : 2081-2083

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DESIGN OF 2-D QUASI-OPTICAL BEAM SPLITTERS USING ANALYTICAL GRADIENTS

By Vahrenholt Volker   Magath Thore  

International Journal of Infrared and Millimeter Waves, Vol. 27, Iss. 2, 2006-02 ,pp. : 235-259

Springer Publishing Company

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Analytic gradients for the combined sr-DFT/lr-MP2 method: application to weakly bound systems

By Chabbal Sylvain   Stoll Hermann   Werner Hans-Joachim   Leininger Thierry  

Molecular Physics, Vol. 108, Iss. 24, 2010-12 ,pp. : 3373-3382

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The LEDO expansion for diatomic overlap densities: application to the density functional theory of molecules

By Kollmar Christian   Hess Bernd A.  

Molecular Physics, Vol. 100, Iss. 12, 2002-06 ,pp. : 1945-1955

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