TDDFT from molecules to solids: The role of long-range interactions

2005 ◽  
Vol 102 (5) ◽  
pp. 684-701 ◽  
Author(s):  
Francesco Sottile ◽  
Fabien Bruneval ◽  
A. G. Marinopoulos ◽  
L. K. Dash ◽  
Silvana Botti ◽  
...  
Keyword(s):  
Long Range ◽  
Long Range Interactions

Density of Loosely Bound States in a Triatomic Molecule: The Role of Long Range Interactions

2001 ◽  
Vol 215 (8) ◽  
Author(s):  
S. Heilliette ◽  
A. Delon ◽  
D.T. Jost ◽  
S.Yu. Grebenshchikov ◽  
R. Schinke ◽  
...  
Keyword(s):  
Long Range ◽  
Bound States ◽  
Quantum States ◽  
Equilibrium Geometry ◽  
Two Dimensional ◽  
Triatomic Molecule ◽  
Small Energy ◽  
Long Range Interactions ◽  
Dissociation Threshold

The influence of the long range forces between an atom and a diatomic fragment on the density of vibrational bound states is studied theoretically in the vicinity of the dissociation threshold of a model triatomic molecule. In the two-dimensional case (2D), where the non dissociating bond is frozen at the equilibrium geometry, the number of quantum states and their density is shown to increase quickly in a small energy interval close to the dissociation threshold

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