/sci/ - Science & Math

[Anonymous No.5534745]

Hey /sci/, I have a quick question. I'm doing my dissertation right now and my work involves using using algorithms that model the behaviour of atoms, however these equations are written using classical mechanics equations. Since my physics knowledge is limited, I wanted to ask you how much of an error will it introduce into the output if you approximate quantum mechanics? Are there some terms that should really not be separated into different components because on QM level they are one?

If my question is a bit confusing, I'll try to elaborate.

[Anonymous No.5534747]

Mail your personal tutor or whatever you call him.
Asking 4chan for input on a significant issue of your dissertation isn't advisable.

[Anonymous No.5534751]

>>5534747

It's not an integral part of my thesis, I will just be using the algorithms. I am just personally interested in knowing more about the background. I have found some articles on the subject but they are somewhat hard for me to understand.

[Anonymous No.5534754]

A relevant number is the numer of atoms you're dealing with. If you treat big molecules, or even bigger systems, then it's faily conventional to just consider classical fields.

[Anonymous No.5534760]

and by classifal fields I mean the potentials

<span class="math">\phi=\sum_n \frac{1}{(r_0-r_n)^a}[/spoiler]

which give the force which gives the displacements for all the atoms at each time step.

[Anonymous No.5534764]

>>5534760

Well, the force field takes into account more than just the potential, including bond stretching, rotating, and bond angles.

[Anonymous No.5535590]

>>5534764
he's talking about atoms, not molecules.

also everything above H, or He+ treated classically is simply WRONG when it comes to electronic energy levels.

If you wanna modellize the potential at great distance of your atom, classical approximations should be useful.

Also this >>5534747

(may I ask what your thesis is in?)