The atomic orbitals quantum charts into chevron form (original) (raw)
Related papers
Chevron Form Quantum Charts New graphical representation of quantum orbitals
2020
It is proposed here to represent the quantum distribution of atomic orbitals in an unprecedented table where the quantum shells and subshells are drawn in the form of chevrons whose vertices are occupied by orbitals with the magnetic quantum number m = 0. This new representation visually shows, much better than a classic linear chart, the relationship between the number of quantum shells and the number of orbitals . Also, this new visual model can be easily used in the individual quantum depiction of the atoms represented alone or into molecules and can find its place in illustration of some two-dimensional space-time quantum theories. Finally, this graphic representation allows to introduce the hypothesis of the existence of stealth orbitals, quantum gates opening towards singularities.
HAL (Le Centre pour la Communication Scientifique Directe), 2020
It is proposed here to represent the quantum distribution of atomic orbitals in an unprecedented table where the quantum shells and subshells are drawn in the form of chevrons whose vertices are occupied by orbitals with the magnetic quantum number m = 0. This new representation visually shows, much better than a classic linear chart, the relationship between the number of quantum shells and the number of orbitals. Also, this new visual model can be easily used in the individual quantum depiction of the atoms represented alone or into molecules and can find its place in illustration of some two-dimensional space-time quantum theories. Finally, this graphic representation allows to introduce the hypothesis of the existence of stealth orbitals, quantum gates opening towards singularities.
Hal, 2020
It is proposed here to represent the quantum distribution of atomic orbitals in an unprecedented table where the quantum shells and subshells are drawn in the form of chevrons whose vertices are occupied by orbitals with the magnetic quantum number m = 0. This new representation visually shows, much better than a classic linear chart, the relationship between the number of quantum shells and the number of orbitals. Also, this new visual model can be easily used in the individual quantum depiction of the atoms represented alone or into molecules and can find its place in illustration of some two-dimensional space-time quantum theories. Finally, this graphic representation allows to introduce the hypothesis of the existence of stealth orbitals, quantum gates opening towards singularities.
Atomic orbitals and their representation: can 3-D computer graphics help conceptual understanding
2005
Quantum mechanics is a non-intuitive subject. For example, the concept of orbital seems too difficult to be mastered by students who are starting to study it. Various investigations have been done on student's difficulties in understanding basic quantum mechanics. Nevertheless, there are few attempts at probing how student's understanding is influenced by appropriate visualization techniques, which are known to help conceptual understanding. ''Virtual Water'' is a 3-D virtual environment we have designed and built to support the learning of Physics and Chemistry at final high school and first-year university levels. It focuses on the microscopic structure of water and explores, among others, atomic and molecular orbitals. Having asked a group of first-year students of Sciences and Engineering courses at the University of Coimbra, Portugal, to describe how they conceive electrons in atoms we found some common misconceptions. We have tried, with partial success, to overcome them by making students explore our virtual environment. The most relevant characteristics of the virtual environment which contributed to student's conceptual understanding were 3-D perception and navigation.
Atomic Model Theory: Shapes of Electron Orbitals
We explore the different proposed theories in quantum mechanics for the shapes of atomic orbitals; Ultimately arriving at Schrodinger's wave equation. We examine the solution to Schrodinger's equation and then run simulations in MATLAB to demonstrate the consistency in his solution.
Rendering of quantum topological atoms and bonds
Journal of Molecular Graphics and Modelling, 2005
In this article, we describe and apply an algorithm that visualizes atoms and bonds in molecules and van der Waals complexes, based on the topology of the electron density. The theory of quantum chemical topology defines both atoms and bonds via a single consistent procedure, and enables the association of an atomic shape with an atomic property (charge, dipole moment, volume, . . .). Special attention is paid to the bridging of gaps arising in interatomic surfaces, in the presence of ring critical points or high ellipticity. This algorithm, in conjunction with the graphical user interface of the computer program MORPHY enables robust and efficient rendering of complicated interatomic surfaces, as found in larger systems. #
The atomic orbitals of the topological atom
Journal of Chemical Physics, 2013
The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure.
Visualizing spin degrees of freedom in atoms and molecules
Physical Review A, 2019
In this work we show how constructing Wigner functions of heterogeneous quantum systems leads to new capability in the visualization of quantum states of atoms and molecules. This method allows us to display quantum correlations (entanglement) between spin and spatial degrees of freedom (spin-orbit coupling) and between spin degrees of freedom, as well as more complex combinations of spin and spatial entanglement for the first time. This is important as there is growing recognition that such properties affect the physical characteristics, and chemistry, of atoms and molecules. Our visualizations are sufficiently accessible that, with some preparation, those with a non-technical background can gain an appreciation of subtle quantum properties of atomic and other systems. By providing new insights and modelling capability, our phase-space representation will be of great utility in understanding aspects of atomic physics and chemistry not available with current techniques.
Students? Visualization and Conceptual Understanding of Atomic Orbitals Using a Virtual Environment
Proceedings 3rd Ieee International Conference on Advanced Technologies, 2003
In order to understand various aspects of student understanding of atomic orbitals, we have built a 3-D virtual environment-"Virtual Water"-to support the learning of some concepts of Physics and Chemistry at the final high school and first-year university levels. It is centered in the microscopic structure of water and explores, among others, concepts related to atomic and molecular orbitals.
Visualising entanglement in atoms
arXiv (Cornell University), 2018
In this work we show how new phase space methods lead to a more complete visualisation of quantum states of atoms in ways that are not possible with usual orbital methods. This method allows us to display quantum correlations (entanglement) between spin and spatial degrees of freedom (spin-orbit coupling), spin-spin degrees of freedom, and more complex combinations of spin and spatial entanglement for the first time. This is important as such properties affect the physical characteristics, and chemistry, of atoms and molecules. Our visualisations are sufficiently accessible that, with some preparation, those with a non-technical background can gain an appreciation of subtle quantum properties of atomic and other systems. By providing new insights and modelling capability, our phase space representation will be of great utility in understanding aspects of atomic physics and chemistry not available with current techniques.