A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene–porphyrin dimer

2006 ◽  
Vol 8 (24) ◽  
pp. 2831-2840 ◽  
Author(s):  
Yousung Jung ◽  
Martin Head-Gordon
Keyword(s):  
Electronic Structure ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Interaction Energies ◽  
Porphyrin Dimer

Atoms in molecules: Application to electronic structure of van der Waals complexes

1999 ◽  
Vol 111 (2) ◽  
pp. 369-375
Author(s):  
V Subramanian ◽  
D Sivanesan ◽  
J Padmanabhan ◽  
N Lakshminarayanan ◽  
T Ramasami
Keyword(s):  
Electronic Structure ◽  
Van Der Waals ◽  
Atoms In Molecules ◽  
Van Der Waals Complexes

Coupled cluster calculations of interaction energies in benzene–fluorobenzene van der Waals complexes

2007 ◽  
Vol 441 (4-6) ◽  
pp. 332-335 ◽  
Author(s):  
Berta Fernández ◽  
Thomas Bondo Pedersen ◽  
Alfredo Sánchez de Merás ◽  
Henrik Koch
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Coupled Cluster ◽  
Interaction Energies ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Monte Carlo calculation of interaction energies for van der Waals complexes

1992 ◽  
Vol 77 (3) ◽  
pp. 477-489 ◽  
Author(s):  
Gregory Tawa ◽  
Paula Whitlock ◽  
Kevin Schmidt ◽  
Jules Moskowitz
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Calculation ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Interaction Energies

Biaxial strain, electric field and interlayer distance-tailored electronic structure and magnetic properties of two-dimensional g-C3N4/Li-adsorbed Cr2Ge2Te6 van der Waals heterostructures

2021 ◽  
Vol 23 (10) ◽  
pp. 6171-6181
Author(s):  
Yaoqi Gao ◽  
Baozeng Zhou ◽  
Xiaocha Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Electric Field ◽  
Van Der Waals ◽  
Interlayer Distance ◽  
Two Dimensional ◽  
Biaxial Strain ◽  
Van Der Waals Heterostructures

It is found that the biaxial strain, electric field and interlayer distance can effectively modulate the electronic structure and magnetic properties of two-dimensional van der Waals heterostructures.

Structure and electronic structure of van der Waals interfaces at a Au(1 1 1) surface covered with a well-ordered molecular layer of n-alkanes

2021 ◽  
Vol 535 ◽  
pp. 147673
Author(s):  
Hirotaka Mizushima ◽  
Harunobu Koike ◽  
Kenta Kuroda ◽  
Koichiro Yaji ◽  
Ayumi Harasawa ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Molecular Layer ◽  
Van Der Waals
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