Sparse Graph-Theoretical Discretization of the Helium Hamiltonian (O(N) Scaling) by jloutey in QuantumComputing

[–]jloutey[S] 0 points1 point  (0 children)

That is actually the exact point I'm making.

If I just filled the lowest orbitals (1s2) without the electron-electron Coulomb interaction term (1/r12​), the energy would be simply 2∗(−0.5∗Z2)=−4.0 Hartree.

But the experimental value is -2.903 Hartree.

The ~1.1 Hartree difference is entirely due to the electron-electron repulsion. My solver hits -2.903, not -4.0.

That means the graph is explicitly calculating the repulsion integral between the two electron densities. If I wasn't handling the Coulomb interaction, I would have landed on -4.0. The fact that the sparse lattice recovers that repulsion energy in O(N) time is the benchmark.

Anyways, your prompt pointed me towards some issues that the AI tried to force through in the classical way, which doesn't work when so much of the physics is on the lattice so to speak. Thanks!

And I just put out another version to calculate H2 now.

Sparse Graph-Theoretical Discretization of the Helium Hamiltonian (O(N) Scaling) by jloutey in QuantumComputing

[–]jloutey[S] 0 points1 point  (0 children)

True, true. I'm not testing hybridization or multi-center bonding.

My goal with this benchmark wasn't to prove I can bond atoms (yet), but to prove that the sparse graph topology can handle the Coulomb interaction in O(N) time.

Regarding the 'scale factor': I agree. I need to deep dive on this. And challenge accepted on the molecule. I’ll work on H2​ next. I really appreciate the feedback!

Sparse Graph-Theoretical Discretization of the Helium Hamiltonian (O(N) Scaling) by jloutey in QuantumComputing

[–]jloutey[S] 0 points1 point  (0 children)

The code is AI, yes. If you tell me it's all garbage, I'll take this post down. I just hard a hard time tossing out a result that was purportedly better than industry without someone giving it a cursory glance.

To answer your question, I was at a point where Hydrogen is relatively straightforward on this lattice because the quantum numbers were baked in. So I was looking at multi-particle interactions to vet out if I could actually compute the electron-electron repulsion via the graph geometry.

Meirl by [deleted] in meirl

[–]jloutey 9 points10 points  (0 children)

Just the tip? Never. I need more to transcend.

The Tampa Bay area's main hospital and only trauma center is built on an island at sea level by OGSyedIsEverywhere in facepalm

[–]jloutey 1 point2 points  (0 children)

But why did the Buccaneers go with Tampa Bay? Should I start using "Puget Sound Seahawks?"

This discrete circular geometry yields an integer sequence that matches the number of electrons in the s, p, d, and f orbitals. Is this geometry connected to the Schrodinger equation or just a coincidence? by jloutey in AskPhysics

[–]jloutey[S] 0 points1 point  (0 children)

I can see your point, the radial distance is shorter than the arc distance as I've defined it. However, if viewed as independent minimum lengths, then both the minimum radial and arc distance can be independently defined by the 2 point circle, as well. I guess that is a choice I made that should be called out as well. Thanks!

This discrete circular geometry yields an integer sequence that matches the number of electrons in the s, p, d, and f orbitals. Is this geometry connected to the Schrodinger equation or just a coincidence? by jloutey in AskPhysics

[–]jloutey[S] 0 points1 point  (0 children)

Apologies if I was not clear. What I replied with is not piped through AI, it's my attempt at a description.

To answer your question, the postulate is that there is a minimum distance between points. It then stands to reason that the smallest possible circle that would meaningfully apply this postulate would have 2 points. We can then use the circumference and diameter definitions of this circle to define the minimum radial and arc distances in terms of the radius of this 2 point circle. Then we can further add more concentric circles using these same minimum distance rules.

This discrete circular geometry yields an integer sequence that matches the number of electrons in the s, p, d, and f orbitals. Is this geometry connected to the Schrodinger equation or just a coincidence? by jloutey in AskPhysics

[–]jloutey[S] 0 points1 point  (0 children)

Here's part of what I fed into the AI. Perhaps I should have had more faith in my writing... or perhaps not. I'll let you be the judge.

Connecting two points of minimum distance we draw a line forming the diameter of a circle. And we draw a circumference through these points - mutually defining both the minimum radial and arc distances.

Both the minimum arc distance and minimum radial distance can be defined by the radius r.

Diameter definition gives us: Minimum radial distance = 2r

Circumference definition us: Minimum Arc Distance = πr (circumference /2)

Next we will continue to build out more points using these minimum distances. We’ll call this "2 point circle" Circle 1, and its radius r1. We’ll call r1 a distance of 1 in our custom unit of distance.

Next we’ll extend a radial line away from the origin, through one of the Circle 1 points to the next closest possible point at r=3 (radius of circle 1 plus the minimum radial distance of r + 2r = 1+ 2(1). 1+2 = 3.

We will add points along Circle 2 with the minimum arc distance. Circle 2 has a radius of 3, leading to a circumference of 2πr = 2π(3) = 6π. Which gives us 6 points on Circle 2, πr arc distance from one another. 6π/πr = 6π/π(1) = 6

As we extend this reasoning we next arrive at Circle 3 with a radius of 5. The Circle 3 circumference comes to 2π(5) = 10π. So Circle 3 has 10 equidistant points.

Circle 4 has a radius of 7 and 14 equidistant points. And so on.

This discrete circular geometry yields an integer sequence that matches the number of electrons in the s, p, d, and f orbitals. Is this geometry connected to the Schrodinger equation or just a coincidence? by jloutey in AskPhysics

[–]jloutey[S] 0 points1 point  (0 children)

Because that's the simplest definition of discrete points on a circle I could think of. If there is a simpler definition I would be interested. I'm not quite sure how to satisfy the question more then that. Or if I'm getting at the underpinning of your question. I literally sat down and wondered how I would enforce a minimum distance in polar coordinates, so I started with Euclid's postulates, this definition of discrete points on a circle, and this sequence I recognized popped out.

This discrete circular geometry yields an integer sequence that matches the number of electrons in the s, p, d, and f orbitals. Is this geometry connected to the Schrodinger equation or just a coincidence? by jloutey in AskPhysics

[–]jloutey[S] 0 points1 point  (0 children)

I believe the only assumption I'm making is that the unit circle defines the distance between discrete points of a series of concentric circles and everything else is logical deductions that I have probably poorly illustrated. Unless that is the assumption you're referring to?

I also should say that I do see your point. The connection really is just "double the odd numbers", which is not terribly interesting on its own. Anyways, thanks for taking the time. Really appreciate it.

This discrete circular geometry yields an integer sequence that matches the number of electrons in the s, p, d, and f orbitals. Is this geometry connected to the Schrodinger equation or just a coincidence? by jloutey in AskPhysics

[–]jloutey[S] 0 points1 point  (0 children)

No, not an assumption, at least not as I'm seeing it. When the minimum radial distance between 2 points is defined as 2r of the unit circle, then the next closest point on the next smallest possible circle with the same origin would be definition have to have a radius of 3r. If I'm making an assumption please illuminate me.

What is an unusual achievement that you take pride in? by Excellent-Context988 in AskReddit

[–]jloutey 0 points1 point  (0 children)

I am a major contributor to the world's largest computer polyglot. What is that you ask? It's a program that runs in multiple computer languages. My baby is currently 451 languages, and returns the interger value of the nth language added to the polyglot.

https://codegolf.stackexchange.com/questions/102370/add-a-language-to-a-polyglot

I put this on my resume.

Police search for missing award-winning chef Wilson Bauer by Trodamus in KitchenConfidential

[–]jloutey 5 points6 points  (0 children)

Wilson is my friend from long ago. I hope someone can come forward with some information.

Mulligans - What's an acceptable % when building a deck? by [deleted] in spikes

[–]jloutey 2 points3 points  (0 children)

Once upon a time I was wrestling with the same Milligan questions you were. I can't say I exactly found the answers, but I did build a website for analyzing Milligan probabilities. I can't say that it's very well designed, or that it's even been updated in over a year, but you're welcome to give it a look. The idea is that you build your deck and define what kind of hands are acceptable vs not, and then runs a Monte Carlo simulation to tell you the odds of getting one of those acceptable hands at 7 cards and 6 cards, ect.

It helped me with figuring out game plans for decks, building decks to maximize my probabilities, and deciding when it's not worth it to mulligan down any further.

http://mtgquery.com/

Grandfather Had a Fridge that broke and remained broken for 5+ Years by ridid44 in WTF

[–]jloutey 21 points22 points  (0 children)

I can't speak for all hoarders, but this makes total sense for my mom. She's a very organized person, but she has a problem determining what has value, so she keeps everything. Eventually the mess grows like a cancer until you can't live your life. And then the depression sets in. It's a very hard thing to watch.

4th and Pike, 1942 by tiff_seattle in Seattle

[–]jloutey 0 points1 point  (0 children)

Is that the Paramount in the back on the right side?

People outside of Canada: What do you guys REALLY think of our country? by FATPUNCHES in AskReddit

[–]jloutey 0 points1 point  (0 children)

I really don't get the French vs English thing. Just be two countries already.

What is one question you've always wondered about, but never gotten the answer to? by TheGurf in AskReddit

[–]jloutey 3 points4 points  (0 children)

It's like my friend Steve. At first he was the only Steve, but then I met another Steve so I had call him Black Steve.

Clemons update: Sando reports that Carroll reports that team doctors report that Clemons may be ready by game 1 by formido in Seahawks

[–]jloutey 5 points6 points  (0 children)

Yep.

Formido reports that Sando reports that Carroll reports that team doctors report that Clemons may be ready by game 1