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- 2006
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Mark
Cholesky Decomposition of the two-electron integrals: A reliable tool for linear scaling methods?
2006) International Conference on Computational Methods in Science and Engineering 7A-B. p.1299-1299(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
- 2005
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Mark
New general tools for constrained geometry optimizations
(
- Contribution to journal › Article
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Mark
Computation of conical intersections by using perturbation techniques
(
- Contribution to journal › Article
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Mark
New relativistic ANO basis sets for actinide atoms
(
- Contribution to journal › Article
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Mark
New relativistic ANO basis sets for transition metal atoms
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579(
- Contribution to journal › Article
- 2004
-
Mark
Local properties of quantum chemical systems: The LoProp approach
(
- Contribution to journal › Article
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Mark
Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing
(
- Contribution to journal › Article
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Mark
Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
(
- Contribution to journal › Article
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Mark
2MOLCAS as a development platform for quantum chemistry software
(
- Contribution to journal › Article
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Mark
Main group atoms and dimers studied with a new relativistic ANO basis set
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(15). p.2851-2858(
- Contribution to journal › Article