Bonding in Small Diatomic Molecules: an Analysis Using Simplified Group Function (SGF) Theory

1994 ◽  
Vol 47 (11) ◽  
pp. 2047
Author(s):  
WA Shapley ◽  
PE Schipper
Keyword(s):  
Complex Systems ◽  
Conceptual Model ◽  
Chemical Bonding ◽  
Diatomic Molecules ◽  
Interatomic Potentials ◽  
Group Function ◽  
Schmidt Orthogonalization ◽  
Variational Approaches

Simplified group function (SGF) theory is used to analyse the energetic contributions to the interatomic potentials of the diatomics H2+, H2, He2+ and He2. These species, which contain one, two, three and four electrons respectively, range from the strongly (H2) to the weakly (He2) bonded chemical entities. SGF theory provides a simple conceptual model of the processes occurring during chemical bonding, and the results obtained in this work may be generalized so as to explain the bonding in larger, more complex systems. The relative merits of the perturbational and variational approaches and of the Lowdin and Gram-Schmidt orthogonalization procedures are discussed.

scholarly journals Architecture at the edge of chaos: a model for uncertainty in architecture

2021 ◽  
Author(s):  
Calvin Fung
Keyword(s):  
Complex Systems ◽  
Conceptual Model ◽  
Granular Matter ◽  
Human Agency ◽  
Dynamic Feedback ◽  
Edge Of Chaos ◽  
Model Based ◽  
Ecological Changes ◽  
Unique Approach

The changing needs of society informed by rapid technological, social and ecological changes have disturbed the foundation of permanence on which much of architecture was built. Traditional Western architecture is too solid, hard, and slow—presenting difficulties for it to adequately adapt to change and uncertainty. A reconceptualization of architecture is necessary, one not focused on the certainty of solutions or forms, but one patterned by the dynamic feedback of human agency and environmental forces. For architecture to adapt, and to adapt to unpredictable circumstances, requires that architecture accept uncertainty in its formulation and materialization. Embracing systems-based thinking, a conceptual model based on the complex systems of granular matter provides a unique approach to architecture’s material and immaterial structures. Architecture will then be critically poised at the edge of chaos, ready to reorganize and evolve towards a new fluid paradigm.

scholarly journals Stimulated Processes in a Half-collision

1986 ◽  
Vol 5 (6) ◽  
pp. 393-406
Author(s):  
H. H. Telle
Keyword(s):  
Kinetic Energy ◽  
Quantum State ◽  
Ground State ◽  
Diatomic Molecules ◽  
Dye Laser ◽  
Interatomic Potentials ◽  
Repulsive Potential ◽  
Induced Absorption ◽  
Tunable Dye Laser

Selective photodissociation of diatomic molecules is used to prepare the separating species in a well defined quantum state with narrowly determined final kinetic energy of the particles. During the course of separation to products the repulsive potential is probed by a tunable dye laser, that is by induced absorption in case the dissociation proceeds on a potential leading to ground state products, or by induced emission or absorption for all other cases. The determination of interatomic potentials from the observed spectra is discussed.

Calculation of Compton Profiles Using the DV-Xα Method for 14 Electron Diatomic Molecules

2011 ◽  
Vol 497 ◽  
pp. 19-25 ◽  
Author(s):  
Kohjiro Kobayashi ◽  
Hiroshi Sakurai
Keyword(s):  
Configuration Interaction ◽  
Chemical Bonding ◽  
Diatomic Molecules ◽  
Covalent Bonding ◽  
Ionic Bonding ◽  
Hartree Fock

Isotropic and directional Compton profiles are calculated for 14 electron diatomic molecules, N2, CO, and BF, using the DV-Xα method. In order to investigate the effect of chemical bonding for Compton profiles, parallel and perpendicular directional Compton profiles to the molecules are calculated and compared with the results from Hartree-Fock and configuration interaction methods. The DV-Xα method could describe the more detailed character of covalent bonding than that of ionic bonding.

scholarly journals A Hierarchical Model of the Hypothalamo-Adreno-Pituitary system

2019 ◽  
Author(s):  
Camilo La Rota ◽  
Dan Tudor Vuza ◽  
Adriana Climescu-Haulica
Keyword(s):  
Complex Systems ◽  
Conceptual Model ◽  
Hierarchical Model ◽  
Hybrid Automata ◽  
Theoretical Frameworks ◽  
The Real ◽  
Analysis Tools

AbstractWe present a model of the Hypothalamo-Adreno-Pituitary (HPA) system; our approach is hierarchical and biologically sound, reflecting the complexity of the real HPA system. The structure of the conceptual model is based on theoretical frameworks of biological complex systems and its implementation takes advantage of recent hybrid automata modelling and analysis tools, being modular and reflecting parameter and mechanisms uncertainties.

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