Amsterdam Density Functional program

Most of the methodologies discussed in Section II.C have been implemented into the Amsterdam Density Functional program package and are available from the 2009 release onward (56-58). 

C. Fonseca Guerra, O. Visser, J. G. Snijders, G. te Velde, and E. J. Baerends, in Methods and Techniques for Computational Chemistry, E. Clementi and G. Corongiu, Eds., STEF, Cagliari, Italy, 1995, pp. 305-395, and references therein. Parallelisation of the Amsterdam Density Functional Program. 

Tel. 31-020-548-2978, fax 31-020-646-1479, e-mail tevelde chem.vu.nl Amsterdam Density Functional program including X-alpha parameterization. 

The DFT calculations reported in this work have been carried out using the Amsterdam Density Functional program package, ADF2007.01 [1,40, 76]. The local density approximation (LDA) characterized by the Vosko- Willk-Nusair (VWN)... 

Amsterdam Density Functional program. Theoretical chemistry. Vrije Universiteit, Amsterdam. http //www.scm.com... 

ADF the Amsterdam density functional program, available since 1995, uses STO basis functions to calculate spectroscopic data and can model elements up to 118. 

ADF (we tested Version 1999.02) stands for Amsterdam density functional. This is a DFT program with several notable features, including the use of a STO basis set and the ability to perform relativistic DFT calculations. Both LDA and... 

The calculations have been performed using the Amsterdam Density Functional (ADF) program package [17-21] with the choice of the functionals described in Ref. [10]. We used a triple zeta basis in all geometry optimizations. For the chosen examples the two-state approximation is valid though using an extended basis set the LUMO is well separated from higher excited MOs of the same symmetry. 

We optimized the structures of AM (Li, Na, K) and AE (Be, Mg, and Ca) tetramers, using a program package from the Amsterdam Density Functional... 

Valence bond (VB) theory may be used as an alternative to molecular orbital (MO) theory for computational organotin studies. Most MO calculations of organotin systems use Gaussian, GAMESS, or Amsterdam density functional (ADE) program suites. A variety of VB methods exist, and although VB wavefunctions are more difficult to calculate, some VB methods can also be implemented in these programs. ... 

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