# Questions tagged [computational-physics]

Computational physics is the study and implementation of numerical algorithms to solve problems in physics for which a quantitative theory already exists.

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### DIIS method to accelerate SCF convergence for stretched geometries

I am implementing from scratch an Hartree-Fock calculation in the STO-3G basis set to perform Born-Oppenheimer molecular dynamics. I have a Restricted Hartree-Fock procedure that can reproduce very ...
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### Phase dislocations and numerical accuracy

I am solving the nonlinear Schrodinger equation (NLSE), $$A_t+iA_{xx}+i|A|^2A=0$$ where $A$ is a complex valued function, which can be written as $A=ae^{i\theta}$ for $a,\theta$ real. Now, for ...
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### Help with Fourier beam propagation method

I am working on implementing the Fourier beam propagation method in C++. I am really more of a programmer than a physicist but I think I have a good understanding of what I am trying to do. Here is ...
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### Should I expect computational gains using a second-order splitting method here?

I am trying to solve a three-dimensional baroclinic transport problem. The hydrodynamic (three-dimensional shallow water) equations are: \begin{align} \nabla \cdot \vec{v} = 0, \tag{1} \\ \frac{\...
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### Non-reflecting boundary conditions for compressible Navier-Stokes equations

I have some questions about the implementation of non-reflecting OUTFLOW boundary condition for Navier Stokes equations. Following Poinsot, Lele "Boundary Conditions for Direct Simulations of ...
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### Coupled Diff Equation from Bose Einstein distribution

I am a student doing physics hons and have had very little experience in programming. This semester we are supposed to do a computational project in thermodynamics. I have to solve these two coupled ...
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### Tracking the speed of 2D oscillations on a lattice

I wrote a Monte Carlo simulation of the 2D Lotka-Volterra model on a discrete lattice (with periodic boundary conditions). A video that I produced (which images the system after some number of monte ...
315 views

### General case Kutta condition

I'm working on a 2D inviscid fluid simulation using a "panel method", with Potential being used to enforce the no-through boundary condition. I'm trying to incorporate the Kutta condition, which says ...
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### Heisenberg Model python : Specific heat capacity for spin 2

I have the correct plot for specific heat capacity when I am using the formula which is $C_V$ = differentiation of entropy with respect to temperature. However, When I try to calculate $C_V$, by using ...
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### What is the best methodology for physics simulators of large floating base rigid body systems?

I want to implement a physics simulator for large floating base rigid body systems from scratch. The Rigid Body Dynamics Systems (RBD) should typically have the following characteristics: About ~50 ...
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### Modeling simple laser induced population transfer via adiabatic passage in python

I'm trying to model adiabatic passage between two levels in a three-level atom interacting with two laser fields using Scipy and Numpy.. I'm not sure if my model is wrong due to my incorrectly ...
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### Arbitrary Choosing of the Solution Domain - Navier Stokes and Manufactured Solutions

I want to verify a finite-volume solver (SIMPLE-Algorithm) for the incompressible Navier-Stokes equations by using a manufactured solution. I use Dirichlet boundary conditions for the velocity at all ...
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### Why does my Finite Difference approximation not work?

I am trying to find out the magnitude of the acceleration of my object based on non-uniformly sampled 3D position data. I'm using the standard approximation of the 2nd order derivative on a non-...
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### Double Integrating acceleration data to obtain position: 2 Problems

I have a data sample from an accelerometer from my phone (pretty bad accelerometer though). I'm trying to double integrate it in order to obtain the position as a function of time. I'm using a program ...
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### Strange solutions using Finite Element Analysis

I've implemented the Finite Element Method to model the heat transfer between two different materials where one material is surrounded by the other. When I run the model I'm getting some strange ...