DFTM2012
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ACKS2: atom-condensed Khon Sham DFT approximated to second order
O11
Talk
Conference / event / venue
DFTM2012
Ghent Univeristy, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Variational optimization of second order density matrices: the past, the present and the future
O10
Talk
Conference / event / venue
DFTM2012
Ghent Univeristy, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Variational density study of the one-dimensional Hubbard model: the need for three-particle constraints
P38
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Improving spin-(other)-orbit contributions to the g-tensor in a periodic DFT approach
P37
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Using density functional theory for estimating force field parameters
P36
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Three particles constraint as linear inequalities in v2DM optimization
P30
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Trans effect: withdrawing electrons from the reactive region
P28
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012A Khon-Sham-like model for the l-body reduced density matrix from a strongly-correlated reference
P17
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Free energy profile of "breathing" flexible porous frameworks
P13
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Abstract (private)
Conference reference
DFTM2012Pages
Postscript First
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Postscript Second
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Postscript Third
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Preface First
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Preface Second
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Preface Third
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