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Quantum Mechanical Model of An Atom in Python

  • 3 Devlogs
  • 4 Total hours

quantum mechanical simulation in python visualizing Li²⁺ ion electron orbitals using matplotlib, scipy, numpy, and numba

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Li²⁺ Quantum Mechanical Simulator

I made an interactive quantum mechanical simulator using pure Python, using Numpy, SciPy, Matplotlib, and Numba! It replicates the electron wavefunctions of hydrogen and presents the probability distributions, wavefunctions, quantum nodes, and energy levels.

The toughest aspect of the project was getting to grips with the mathematics underlying the wavefunctions and quantum states, as well as visualizing the model effectively onto a 3D plane.

The part of the project that makes me the most proud this time was that I converted scientific theories and equation that normally exist on the paper of quantum mechanics into an object that you can actually see and engage with. All the components, such as wave functions, probabilities have been calculated using Python programming language. P.S. this REALLLYYY helped me in chemistry in school as I mostly used the information I knew beforehand in class. (yes they teach us this in chem here, yes im in highschool)

  • 3 devlogs
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1h 54m 55s logged

QUANTUM MODEL OF AN ATOM

#Devlog-2

Howdy everyone! sorry for the long break, i was busy and all because school 😭 and they give so much work omg! SOOO yeahh im back because the alpha never dies :alpha-sheeb:

So this time i added more things and removed some things for the simulation.

Tasks done today in the code:

** added multiple orbitals
** added density threshold
** numba optimization
** keyboard controls
** monte carlo probability sampling
** removed the basic single orbital only limitation

:heart-communist: MAY OUR PROJECT GO WELL COMRADE! ARRIVEDERCI! also the tony montana pfp is so sick lolz

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57m 32s logged

QUANTUM MODEL OF AN ATOM

#Devlog-1

Howdy everyone! im back with another simulation (calm down my fans.. wait i dont have fans :sad: no one knows me…nvm) SORRY FOR THE INTERNAL MONOLOGUE IM JS A DRAMATIC TEENAGER IRWEYUVREWNYUEWR… wait thats wayyy too energetic.. AHEM AHEM! this is better!

So first things first this model is going to be of a Li²⁺ ion since its a hydrogen atom like species and would be easier to simulate and yep!

Tasks done today in the code:

** made a cartesian grid
** used the cartesian coordinates as spherical coordinates (r, θ, φ)
** normalized the wave function
** computed the probability density
** displayed a 3d scatter plot of the 1s orbital

P.S. THE CODE ONLY SHOWS THE 1s ORBITAL AS OF NOW!
:heart-communist: yes the code is OUR code comrade

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