At Play With GAMESS (4)

Another in my GAMESS series on quantum chemistry. GAMESS is unquestionably a magnificent piece of work. All the people who have produced it should be very proud. With the steady improvement of my skill using GAMESS, I was able to find the chemical reaction I was looking for in that earlier post. The basis set […]

At Play With GAMESS (3)

The results of some calculations just need to be showcased. This ab initio chemical reaction simulation took a huge amount of time and effort to generate. Depicted here is an attack by hydroxide (-1 charge) on aminophosphate (-2 charge). The black ball is phosphorous, red is oxygen, white is hydrogen and blue is nitrogen. As […]

At Play With GAMESS (2)

Rather than make a post that is six miles long with updates, new posts with new content seem like a good idea. For most people this would be an easy idea! I’ve continued to learn with GAMESS. The functionality that interests me the most is the capacity to use the background of automated quantum mechanical […]

Quantum Physicist Self Evaluation

(This post was generated in response to a Quantum University Crank over the last month and tacked at the end of my Quantum University post. I left it there for the Quantum U jackasses to come and gawk and pretend their pseudoscience will give them some supernatural powers, but I also post it here because […]

The Organic Chemistry Lie

Fallout from my learning about Molecular Orbital theory and Hartree-Fock. I’ve said repeatedly that Organic Chemistry is along the spectrum of pursuits that uses Quantum Mechanics. Organic Chemists learn a brutal regimen of details for constructing ball-and-stick models of complicated molecules. I’ve also recently discovered that chemistry –to this day– is teaching a fundamental lie […]

Building a Molecule; Time Spent in the Gap

How is a molecule built? Rather, what exactly is required to predict the electronic structure of a molecule using modern tools? I will use this post to talk about my time spent learning how to apply the classic quantum mechanical calculation of Hartree-Fock (note, this is plain old Hartree-Fock rather than multi-configuration Hartree-Fock or something […]

The Classical version of NMR

As I’ve been delving quite deeply into numerical solutions of quantum mechanics lately, I thought I would take a step back and write about something a little less… well… less. One thing about quantum mechanics that is sometimes a bit mind-boggling is that classical interpretations of certain systems can be helpful to understand things about […]

Magnets, how do they work? (part 4)

(footnote: here lies Quantum Mechanical Spin) This post continues the discussion of how ferromagnets work as considered in part 1, part 2 and part 3. The previous parts dealt with the basics of electromagnetism, introducing the connections from Maxwell’s equations to the magnetic field, illustrating the origin of the magnetic dipole and finally demonstrating how […]

Magnets, how do they work? (part 3)

In this section I intend to detail the source of magnetic force, particularly as experienced by loops of wire in the form of magnetic dipoles. The intent here is to address ultimately how compass needles turn and how ferromagnets attract each other. I should start by asking for forgiveness. I’ve recently defended my PhD. While […]

E=mc^2

Derived in ten minutes while I was on the toilet: Edit: 11-16-16 There was a slight error in the set-up of the center of mass calculation. Light appears to move an effective mass from -L/2 to L/2-l, the starting and stopping points of light. Here’s the reformulation to capture that. Time spent on this derivation: […]