BSSE-corrected Three-body Interaction Energy in the Recognition of GC Base Pair by Asparagine

2007 ◽  
Vol 36 (1) ◽  
pp. 124-125 ◽  
Author(s):  
Tomoki Yoshida ◽  
Misako Aida
Keyword(s):  
Interaction Energy ◽  
Base Pair ◽  
Body Interaction ◽  
Three Body

scholarly journals Resonance-Assisted Hydrogen Bond—Revisiting the Original Concept in the Context of Its Criticism in the Literature

2021 ◽  
Vol 23 (1) ◽  
pp. 233
Author(s):  
Małgorzata Domagała ◽  
Sílvia Simon and Marcin Palusiak
Keyword(s):  
Hydrogen Bond ◽  
Interaction Energy ◽  
Electron Density ◽  
Intermolecular Hydrogen Bond ◽  
Many Body ◽  
Body Interaction ◽  
The Many ◽  
Three Body ◽  
Interaction Approach ◽  
Original Concept

In the presented research, we address the original concept of resonance-assisted hydrogen bonding (RAHB) by means of the many-body interaction approach and electron density delocalization analysis. The investigated molecular patterns of RAHBs are open chains consisting of two to six molecules in which the intermolecular hydrogen bond stabilizes the complex. Non-RAHB counterparts are considered to be reference systems. The results show the influence of the neighbour monomers on the unsaturated chains in terms of the many-body interaction energy contribution. Exploring the relation between the energy parameters and the growing number of molecules in the chain, we give an explicit extrapolation of the interaction energy and its components in the infinite chain. Electron delocalization within chain motifs has been analysed from three different points of view: three-body delocalization between C=C-C, two-body hydrogen bond delocalization indices and also between fragments (monomers). A many-body contribution to the interaction energy as well as electron density helps to establish the assistance of resonance in the strength of hydrogen bonds upon the formation of the present molecular chains. The direct relation between interaction energy and delocalization supports the original concept, and refutes some of the criticisms of the RAHB idea.

scholarly journals Chain-like ground states in three dimensions

2018 ◽  
Vol 2 (1) ◽  
Author(s):  
Giuliano Lazzaroni ◽  
Ulisse Stefanelli
Keyword(s):  
Interaction Energy ◽  
Ground States ◽  
Three Dimensions ◽  
Mechanical Modeling ◽  
Body Interaction ◽  
Interaction Terms ◽  
The Stability ◽  
Three Body ◽  
Molecular Mechanical Modeling

Abstract We investigate the minimization of configurational energies of Brenner type. These include two- and three-body interaction terms, which favor the alignment of first neighbors. In particular, such configurational energies arise in connection with the molecular-mechanical modeling of covalent$sp$-bonding in carbon. Ground states in three dimensions are characterized and the stability of chains and rings is discussed. The interaction energy is then augmented with terms corresponding to weaker interactions favoring the stratification of configurations. This gives rise to stratified structures, which are reminiscent of nanoscrolls and multi-wall nanotubes. Optimal stratified configurations are identified and their geometry is discussed.

Studies on the retarded interaction between neutral atoms - I. Three-body London-van der Waals interaction of neutral atoms

1960 ◽  
Vol 257 (1291) ◽  
pp. 464-476 ◽  
Keyword(s):  
Interaction Energy ◽  
Quantum Electrodynamics ◽  
Dipole Approximation ◽  
Neutral Atoms ◽  
Approximation Result ◽  
Atomic Transitions ◽  
Body Interaction ◽  
Three Body ◽  
Dipole Energy ◽  
Relativistic Reduction

An expression for the non-additive, three-body interaction energy of three neutral atoms is deduced, by the methods of quantum electrodynamics. Non-relativistic reduction and dipole approximation result in an expression which for interatomic separations R small compared to the wavelengths of typical atomic transitions reduces to the triple-dipole energy varying as R –9 (Axilrod & Teller), whereas at distances large compared with these wavelengths, the three-body interaction energy becomes proportional to R –10 , owing to the influence of retardation.

EFFECT OF HIGHER ORDER ENERGY CORRECTIONS INCLUDING THREE-BODY INTERACTION ON THE BOSE-EINSTEIN CONDENSATE WITH THE VARIATION OF REPULSIVE SELF INTERACTION ENERGY

2006 ◽  
Vol 20 (11n13) ◽  
pp. 1690-1698 ◽  
Author(s):  
SHRI PRAKASH TEWARI ◽  
POONAM SILOTIA ◽  
ADITYA SAXENA ◽  
LOKESH KUMAR GUPTA
Keyword(s):  
Interaction Energy ◽  
Chemical Potential ◽  
Hard Core ◽  
Higher Order ◽  
Einstein Condensate ◽  
Body Interaction ◽  
Interaction Terms ◽  
Bose Einstein Condensate ◽  
Three Body ◽  
Bose Einstein

Various ground state properties such as chemical potential, differential and total energy per particle etc. of Bose-Einstein condensate of 10000 85 Rb atoms with varying repulsive self-interaction energy have been reported considering not only two-body interaction but also including the higher order terms of the low-density energy expansion of homogeneous Bose gas in the Ginzburg, Pitaevskii and Gross (GPG) equation. These include hard-core approximation of the bosons neglected earlier and the three-body interaction terms. The study is more general as it includes the terms beyond logarithm in energy density expansion. It is also shown that such a consideration does not violate the lower bound predicted earlier in which the 'constant' beyond logarithm term in the three-body interaction was neglected.

scholarly journals Native three-body interaction in superconducting circuits

2019 ◽  
Vol 1 (3) ◽  
Author(s):  
Simon Panyella Pedersen ◽  
K. S. Christensen ◽  
N. T. Zinner
Keyword(s):  
Superconducting Circuits ◽  
Body Interaction ◽  
Three Body

Effect of three-body interaction on the topology of basins of convergence linked to the libration points in the R3BP

2021 ◽  
pp. 105281
Author(s):  
Md Sanam Suraj ◽  
Rajiv Aggarwal ◽  
Md Chand Asique ◽  
Amit Mittal ◽  
Mamta Jain ◽  
...  
Keyword(s):  
Libration Points ◽  
Body Interaction ◽  
Three Body

Three-body interaction and lattice dynamics of metals

1977 ◽  
Vol 83 (2) ◽  
pp. 615-624 ◽  
Author(s):  
S. K. Sarkar ◽  
S. K. Das ◽  
D. Roy ◽  
S. Sengupta
Keyword(s):  
Lattice Dynamics ◽  
Body Interaction ◽  
Three Body
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