Subdiscipline of theoretical physics which consists in the study of physics problems using numerical algorithms. PLEASE NOTE that questions about computational methods and/or programming are OFF-TOPIC on Physics.SE.

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Correlation energy - is it the difference between the Hartree-Fock energy and exact energy, or Hartree-Fock PE and exact PE?

For some reason I can't find anything stating it either way explicitly. What I'm talking about is this. Is this difference referring to potential energies or just energies in general? I assume it's ...
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2answers
93 views

What is the fastest algorithm to solve a Nonlinear second order differential equation numerically

I am trying to solve a second order non linear differential equation in one variable. Using RK4 I am getting good accuracy and is working fine. But the problem is my range is very high so it will ...
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2answers
85 views

Numerical modelling of a step function in time in a hydrodynamic system. (Runge Kutta fourth order)

So I'm trying to model a hydrodynamic system that introduces a sudden "jump" in the value of a function at a specific time. The system is solved with a Runge-Kutta fourth order method. I have a ...
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1answer
63 views

Force Needed To Maintain Velocity, Increasing Mass

Hoping somebody could give me a hand with this. Unfortunately I haven't taken physics yet, my background is in math/computer science. I'm studying computational science and the problem is essentially ...
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1answer
82 views

Density Matrix Renormalization Group (DMRG) Simulation of a String-Net Model

In the following paper, Dr. Xiao Gang-Wen et. al. introduce the idea that string-net condensed states can be represented in terms of tensor product states: http://arxiv.org/pdf/0809.2821.pdf The ...
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50 views

Mixed spin Ising Model

As we know ferrimagnets can be modeled by the Ising model. I came across this equation in "Compensation Temperature of the Mixed-Spin Ising Model on the Hexagonal Lattice" by W. Figueiredo, M. Godoy, ...
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1answer
104 views

Determing Velocity of Moons

I have a question that I believe is relatively easy to answer, I am working on an $N$-body simulation of a fictional star system and am having trouble finding the velocity of moons so that they will ...
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1answer
94 views

Is there an algorithm for N body simulations in General Relativity [duplicate]

I am new to general relativity but have a background in computer science. Why is it so hard to do n-body simulations in GR? For example, there could be a program which takes the properties (mass, ...
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38 views

Derivative of time with respect to proper time

When wants to solve the Schwarzschild-Two-Body-Problem with the Runge-Kutta-Method, the second derivative of the time $t$ with respect to the proper time of the moving particle $\tau$ is needed. How ...
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1answer
149 views

Tight binding model in a magnetic field

The standard way to treat a tight binding method in a magnetic is to replace the hopping matrix element: $t_{i,j}\rightarrow e^{i\int_i^j\mathbf{A(x)}.d\mathbf{x}}$ the so called "Peierls ...
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1answer
85 views

How to solve highly oscillating differential equation [closed]

The equation looks like: $$x''(t)+bx'(t)+c x(t)+dx^3(t)=0.$$ This is the motion of a particle in a potential $cx^2/2+dx^4/4$ with friction force $bx'$. In my case, the friction term is very small and ...
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49 views

What is the largest atom with a reliable configuration-interaction (CI) calculation?

The simplest approximation for calculating the ground state of an atom is the Hartree-Fock approximation. To get accurate result for the ground state energy, one has to do configuration-interaction ...
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30 views

Q: Any standard terminology for “gold standard” Monte Carlo solutions

The "standard" way in our field to compute scattering statistics in wave propagation problems is via a "deterministic" wave prop code operating in a Monte Carlo context where we iterate over many ...
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1answer
73 views

Connections between Density Matrix Renormalization Group and Conformal Field Theory

Can we use the density matrix renormalization group (DMRG) method to understand problems in conformal field theory? I have been trying to find some connections, but nothing is coming up when I search. ...
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0answers
36 views

What is the difference between finite displacement and linear response for calculating vibrational properties?

I see these concepts appearing in the context of calculating phonons and other vibrational properties, but I can't find a concrete explanation of the differences between linear response (DFPT) and the ...
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2answers
82 views

How to verify/falsify the existence of localised edge states numerically?

I have to consider a Hamiltonian given in second quantized form in real space $$H = \sum c_k^\dagger h_{kl} c_l \, ,$$ describing fermions on a 2d hypercubic lattice. The concrete form of the matrix ...
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0answers
110 views

How to solve the Dirac equation numerically?

The effective Hamiltonian for my system is: $$ H=\nu_{F} \sigma\cdot\left(q-By\hat x\right) $$ where $\sigma$ and $q$ are the Pauli matrices and the momentum operator respectively and $\nu_{F}$ and ...
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2answers
86 views

Anyonic braiding statistics from density matrix renormalization group (DMRG) simulations

How does the ground state energy of the system change when we braid two anyons? Can the braiding of anyons be simulated with a computational method such as the density matrix renormalization group, ...
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1answer
38 views

Amount of unknown parameters in compressible Euler equations

I'm looking at this page for the compressible Euler equations. To me it seems, in the 1-dimensional case, there should be 3 unknowns: density, velocity, and pressure. This is because the energy $E$ ...
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1answer
105 views

Computational physics using mathematica [closed]

So I was confused about this question on how to exactly begin to answer it. I am a novice in mathematica and I am teaching myself thus I require help in this question. From what I think I should do, ...
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1answer
123 views

Finding the initial velocity vector of an orbiting body

I'm writing a program that simulates Newton's law of universal gravitation by simply calculating the force and applying it on the objects. The simulation works very well, but now I want to simulate ...
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1answer
60 views

Formulating a symplectic integrator for a non-local Hamiltonian

I recently asked two questions, Q. [1] and Q. [2], regarding reformulating non-local Lagrangians as Hamiltonians. In these questions, the Hamiltonian is formulated as an integral because of it's ...
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50 views

Electromagnetic boundary conditions for modelling symmetrical geometry

I stumbled upon this article: http://www.comsol.com/blogs/exploiting-symmetry-simplify-magnetic-field-modeling/ Since the article does not contain any mathematical formulations, I was wondering how ...
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1answer
69 views

Using the Fourier transform to find the natural frequencies of coupled oscillators

How can I find the natural frequencies of a system consisting of a pair of coupled oscillators using Fourier transforms? The System consists of two masses and three springs. One of the springs ...
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0answers
35 views

Introduction material for lattice field simulation

I am looking for introductory material of lattice field theory simulation. It is better start from simple example (e.g. \phi^4) and include some source code. Is there any on-line or book which is ...
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2answers
862 views

Numerical solution to Schrödinger equation - eigenvalues

This is my first question on here. I'm trying to numerically solve the Schrödinger equation for the Woods-Saxon Potential and find the energy eigenvalues and eigenfunctions but I am confused about how ...
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58 views

Ising Model 2D Correlation Length

I'm using Metropolis and Wolff Clustering algorithms to estimate the spin-spin correlation function $$<s_os_r>$$ I know that this is related to the correlation length but how do we determine ...
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1answer
41 views

Numerical construction of phase space for a dynamical system

Suppose I have a standard, deterministic dynamical system. For concreteness I'll assume it's a two variable system of the form, $$ \dot x_1 = f(x_1,x_2; \theta_1)\\ \dot x_2 = g(x_1,x_2; \theta_2) $$ ...
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1answer
220 views

How to measure the spin-spin correlation in a Monte Carlo simulation of the Ising model?

I'm simulating the Ising Model in 2D up to 5D and I want to calculate the spin-spin correlation, correlation length, and critical exponent of the system. What is a good way to go about doing this? ...
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74 views

Ising model Monte Carlo simulations in 4D and 5D

I'm going to be simulating the Ising Model in 4D and above to calculate spin-spin correlations and critical exponents and am wondering how to tackle this algorithmically. For example, in 1D, use an ...
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1answer
25 views

Is it realistic for soundwaves under water to “sink” or “float”?

I'm studying soundwaves under water and I had a numerical problem that I was asking about. http://stackoverflow.com/questions/28904017/are-my-matlab-iterations-working Now I wonder if you can tell ...
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0answers
96 views

Numerical Solution of 1D Boltzmann Transport Equation

I need to solve the one-dimensional Boltzmann transport equation in a semiconductor numerically, and I want to take a deterministic approach toward the problem (i.e. not use Monte-Carlo or similar ...
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1answer
64 views

Estimating divergence of set of vectors

I have a set of points where directions and intensities of a flow are given (in 3D). Is it possible to estimate the divergence of the flow defined by those vectors? I only need a rough estimate and I ...
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0answers
35 views

What does invariant exactly mean and how does it get the invariant?

I have read many journal about simulation of regularized long wave. In numerical test section,many researcher use invariant of mass,momentum and energy to check accuracy of their method but i found ...
2
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2answers
156 views

Hamiltonian mechanics really useful for numerical integration? Lagrangian can become 1st-order

(I'm talking about the classical mechanics.) Many texts say that Euler-Lagrange equations are difficult to treat numerically because they are second-order ODEs, ${f_i(\boldsymbol{q, \dot{q}, ...
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1answer
101 views

Hartree Fock equations

I don't understand how the Hartree Fock equations define an iterative method! For this discussion, I am referring to the HF equations as described here: click me! Basically if you guess a bunch of ...
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0answers
23 views

What is the transfer function in fft beam propagation for unpolarized light?

What is the transfer function in fft beam propagation for unpolarized light ? How to construct the fft beam propagation ? This is for homework. For coherent light the beam propagation is E(x,z) ...
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1answer
104 views

Probability density function of a particle for computation [closed]

I'm writing a program, part of which relies on a particle being able to change location similar to a how a real particle would behave (pardon my physics). For example, on a grid of 100x100, a ...
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0answers
47 views

Why are functional representations of systems important in physics or computational physics?

This was an addendum to a previous question I asked, but I figured I should make it it's own discussion. Assuming I am able derive a functional representation for any dynamical system (dissipative, ...
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2answers
150 views

Leapfrog method in Particle-in-cell

Recently I wanted to write a 3D electromagnetic Particle-in-cell code with c++.I know that I should use leapfrog method.For example,when I calculates the position and velocity of particles,i should ...
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0answers
14 views

What is the phase-amplitude numerical method?

What is the phase-amplitude numerical method? I heard its used to calculate long range interactions numerically, but I cannot find any papers discussing its method of implementation.
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0answers
84 views

Stability of Mathieu's equation and parameteric resonance

I am given the following equation (Mathieu's equation) in my subject of Numerical Analysis : $$ \frac{d^2 x}{dt^2}=-\omega^2(1+\epsilon\cos(t))x $$ I am supposed to find those frequencies $\omega$ ...
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3answers
85 views

Is it possible to reconstruct the wavefunction of a molecule from a collection of spectra?

Spectra of a molecule can be calculated if the wavefunction is known. Is it possible to do the opposite?
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215 views

Problems while numerically computing band structure using k.p theory

I want to use k.p theory to numerically compute the band structure of a bulk semiconductor. The band I like to include are the lowest conduction band (cb), the heavy-hole (hh), the light-hole (lh) and ...
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0answers
53 views

Differential Equations for Two-Dimensional N-Body Simulation

So I recently asked a question about improving the stability of a two-dimensional orbital simulation (as before I was using Euler integration). I was told to use Runge-Kutta 4 for a more stable ...
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1answer
67 views

Hard processes in particle collisions

This is in reference to a MC generator called Pythia, but has wider applicability because the phrases are used widely in particle phyiscs, even though I have not managed to find a clear, ...
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1answer
47 views

Cellular automata and time T

Reading around about various CA models I saw that there are even those who are following the track to provide a single mechanicist model of the universe. For example Gerard van 't Hooft claims that ...
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1answer
89 views

Calculating a two-dimensional orbital path with infinite granularity (non-Euler integration)

For a game I am making, I am trying to calculate the position of an orbiting object around one or more bodies. I have successfully implemented this gravity simulation by calculating the force, then ...
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1answer
337 views

Integral of Sedov's self-similar solution to the spherical blast wave problem

I'm studying the Taylor-Sedov self-similar solution to the problem of a strong explosion in a homogenoeus atmosphere. The problem is discussed in Landau & Lifschitz VI (in the 2nd edition it's ...
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1answer
46 views

How do we define capillary number in 2D (two dimensions)

In 3D the capillary number $Ca$ is defined as: $$Ca=\frac{\nu \rho U}{\gamma}$$ where $\nu$ is the kinematic viscosity ($m^2/s$), $U$ is the velocity ($m/s$)and $\gamma$ is the interfacial tension ...