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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Calculating 2 particle Partial Trace for Density Matrix in Zeeman basis for a large number of Spins

I want to trace out all spins but 2 from a density matrix in the zeeman basis for N spins. For N=3 for example I would have the basisvectors: $ |S=1.5, m=-1.5\rangle =|000\rangle, |S=1.5, m=1.5\rangle ...
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21 views

Is Schmidt Decomposition well defined for periodic matrix product representation(MPS)?

We are able to perform Schmidt decomposition for open-boundary MPSs with dimension of boundary bond $m_0 = 1$, $|\psi\rangle=\sum w_{a_l}|a_l\rangle_L|a_l\rangle_R$. Because we can make $|a_l\rangle_{...
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2answers
48 views

How to resolve “bottleneck” of encoding input of quantum computer? [on hold]

As far as I understand, all quantum computing purpose is to accelerate exponentially (upon input length) computation time of given task. But here user faces bottleneck to serialize input, and ...
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62 views

How to plot numerically the wave functions according to the Hamiltonian?

It is often difficult to analytically solve the Schrodinger equation, and so we need to obtain a solution numerically. An example plot is shown below. Here, the wave functions for a three junction ...
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52 views

Plotting a Function [closed]

I have the following result: $$ n_z(t) = 1 - 8 \sum_{k = 0}^{\infty} |g_{k}|^{2} \frac{\sin^2 \Big (\frac{(w_k - w_{0})t}{2} \Big)}{(w_k - w_{0})^2} $$ I want to figure out the dependence ...
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39 views

Does modern science discussed the concept of knowledge and the process of gaining it? [closed]

I though of an idea is some extrapolation of the law of conservation of energy, and the second law of thermodynamics. It may come a bit philosophical, and I'm really interested if there is any field ...
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39 views

What is the best order of learning mathematics before start Monte Carlo Methods for Physics simulation? [closed]

I doing medical physics masters and hope to start my research in Monte Carlo methods to simulate some particle interaction and hence to calculate some unknown physical quantities ( Stopping power and ...
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26 views

Mathematica code for self-consistent field loop in Hartree-Fock method

I want to write a Mathematica code for Hartree-Fock treatment of helium (or hydrogen molecule-> namely two electrons systems) , but I don't know how to write a loop for self consistent field procedure....
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52 views

Efficient Method for Multiplying Angular Momentum Operators

I'm doing a calculation that involves canonical symmetrization of angular momentum. For example: $H_{\text{classical}} = J_x J_y \rightarrow \hat{H}_{\text{quantum}} = \frac{1}{2}(\hat{J_x}\cdot \...
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1answer
59 views

Finding $\pm 2 \pi$ defects in 2-D lattice nematic simulation

I'm working on a Monte Carlo simulation of a two-dimensional nematic system (XY-like model with even-order Legendre polynomial interactions, such that the director angle $\theta$ obeys $\theta \equiv \...
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0answers
14 views

Modelling a flow due to an oscillating hemisphere?

Say I have a long cylinder filled with air, closed at one end and open at the other. Now say I place a compressible hemisphere at the closed end and make it oscillate (compression and expansion of the ...
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52 views

Simulation of plasma in tokamak

I am reading some papers on numerical algorithms for simulation of plasma in the context of nuclear fusion in a tokamak. I am getting a little lost as there is a huge number of references, and it is ...
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1answer
41 views

Lattice QFT: Non-homogenous lattice spacing

I am interested why we fix the lattice spacing, $a$ to be homogenous in all dimensions. After a Wick rotation, $a=i \epsilon$ where $\epsilon=t_{i+1} - t_{i}$ and with euclidean time given by $\tau = ...
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37 views

C libraries for Solid State Physics

During last year I've attended courses of solid state physics, and I studied methods for bands structure calculations in the Hartree Fock framework. However, I know only theoretical aspects of these ...
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0answers
37 views

“Instantaneous” time stepping with time dependent Hamiltonian Schrodinger equation

The Schrodinger equation for time-dependent Hamiltonian is $$i\hbar\frac{d}{dt}\psi(t) = H(t)\psi(t) \, .$$ I know that the "instantaneous" solution of this equation is $$\psi(t+dt) = e^{-\frac{i}{...
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38 views

How to make an equal flow rate in 4 glass tubes with different inner diameters?

I would like to ask a question regarding a flow rate project I've been working on that required pneumatic software to solve. Unfortunately, I don't have the software, and I don't know how to control ...
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0answers
31 views

The definition of fidelity for fermion

The definition of fidelity for two mixed ensembles is $F=Tr\sqrt{\sqrt{\rho_1}\rho_2\sqrt{\rho_1}}$. Now I came across a problem in numerical calculation, Systems A,B are identical, but attached to ...
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29 views

Finding the initial state in the power method for Hamiltonian diagonalization

In section III of the lecture note Chapter 1: Exact Diagonalization, Weimer has described the Power method for Hamiltonian diagonalization. The process requires the choice of an random initial state ...
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31 views

Heliocentric Cartesian position of moons

I have a working Kepler orbit system that is GPU accelerated to allow precision, speed and parallelism and more importantly allow as many factors as possible in calculation. For various reasons I ...
4
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1answer
73 views

Finding explicit unimodular transformations for Chern-Simons K-matrices

An invertible, symmetric matrix with integer entries, $K$, that encodes the braiding and statistics of an Abelian topologically ordered state, is equivalent to another such matrix, $K'$, if there ...
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0answers
27 views

Implementing fixed-temperature, solid-wall boundary conditions

I wish to simulate the behaviour of a fluid along one dimension, where the right boundary is transmissive and the left boundary is a solid wall at a fixed temperature. Temperature is not one of my ...
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4answers
151 views

Schrodinger equation for time-dependent Hamiltonian?

Can I write a Schrodinger equation for time-dependent Hamiltonian like this: $$i\hbar\frac{d}{dt}\psi(t) = H(t)\psi(t)$$ and then perform Euler integration like this: $$\psi(t+\Delta t) = (1-\frac{...
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89 views

Why does the method below work?

Please explain why this method works. I get this idea when try to solve adiabatic gas expansion by using numerical method. The analytic/exact solution for the expansion will be $PV^\gamma$=constant. ...
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1answer
30 views

Data transmission in optical fibers

Im reading though my Network Architecture lecture notes and it states optical fibers need a repeater every >10km. Repeaters are used to amplify digital signals but the notes do not explain or state ...
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67 views

Which timestep should I use for a $N$-body simulation of the Solar system?

I am trying to implement a $N$-body simulation of the Solar system and I am stuck on the issue of the simulation timestep size. At first I would like to use a simple Euler stepping scheme. Knowing ...
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1answer
78 views

What is the BG Equation?

About 45 years ago or so I was a Physics department staff computer programmer when I was a physics major undergrad. I worked with a professor doing research on nuclear shell models -- he was ...
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40 views

How are boundary consitions implemented correctly in time dependent hydrodynamics?

I posted this question more than one year ago and got an answer recently. This answer looks good to me, but indicates that something is wrong in my original approach to the problem. Can someone tell ...
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1answer
61 views

Collision between a “spring” and a particle

I am currently attempting to create a simple 2D physics engine, and I just need to know how to solve a certain collision. I have particles, and between any two particles, springs can be connected. ...
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36 views

How to calculate the string order parameter (for Haldane phase) in density matrix renormalization group?

The ground state of the spin-1 chain is the Haldane phase, which is known to be a symmetry protected topological phase and cannot be detected by conventional order parameter (beyond the Landau-...
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27 views

How Periodic Boundary Condition (PBC) is related to Band Structure of Quantum Dot?

I am reading about relationship between different lattices and their band structures.I have few questions about them: Q 1. Is is possible to find out band structure of a quantum dot (which is a ...
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0answers
21 views

Master curve of the 3D Ising model

I am currently doing some grand canonical Monte Carlo simulations for LJ particles and my professor has asked me to map the normalized probability distribution of density on to a master curve of the ...
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25 views

Mixed Neumann/Dirichlet BCs in Poisson-Schrodinger self-consistent solver

I'm currently in the process of writing a self-consistent Schrodinger-Poisson solver for a device heterstructure (High Mobility Electron Transistor). I am having a few difficulties however. It seems ...
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12 views

Computing the dynamics with a bilateral constraint in position

Let's says I have a dynamical system of generalized coordinates $x$, subject to a bilateral constraint $g(x(t),t)=x_1(t)-d(t)=0$ where $d$ is a prescribed displacement. I am looking for the ...
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1answer
86 views

Finite Difference Method (FDM) solution to heat equation in material having two different conductivity

I am not from a mechanical engineering background and I have not taken any courses in PDE so this may seem trivial for many. and I am writing a Matlab code with the objective to solve for the ...
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1answer
40 views

Laser resonator modes

For a resonator, plot the intensity as a function of time for (i) when the modes have identical phases, and (ii) when the modes have random phases. Attempt Here is the equation for intensity (p. ...
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0answers
28 views

Numerically integrate equations of motion with noise

Consider the equations of motion $$\begin{cases} \dot{x}(t) & = v(t) \\ \dot{v}(t) & = -\frac{\lambda}{m} v(t) + \frac{1}{m}F^{c}(x(t)) = a(x(t), v(t)) \end{cases},$$ where $x$ is the ...
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0answers
27 views

Keplerian orbits and radial velocities: problem with true anomalies

I am writing a pure Python code to calculate radial velocities of stars with massive objects orbiting them. I am following the formalism from Murray & Correia (2011) (hereafter MC11). In a given ...
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0answers
34 views

Generalized Eigenvalue Problem from linear stability analysis

I am trying to solve a generalized eigenvalue problem raised by linear stability analysis $$AV=\lambda BV.$$ $A$ and $B$ are non-symmetric complex valued matrices. The set of equations I am trying to ...
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0answers
19 views

2-D Ising model temperature of equilibrium [duplicate]

I have simulated 2-D Ising model in C#, but my scatter plot for magnetization versus temperature is an decreasing line (you know that the correct plot decreases quickly in a temperature near 2.3). I'...
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0answers
27 views

Why is more difficult for a DFT to converge with non-periodic conditions?

I am simulating a cubic amorphous silica system. When all boundaries are periodic the SCF iteration converges rapidly. However, when the boundary is not periodic in the $x$ direction, the SCF ...
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2answers
88 views

Use Runge Kutta method to solve schrodinger equation

The schrodinger equation in spherical coordinates after seperation of variables as a solution of hydrogen atom is given by $$ \frac{-\hbar^{2}}{2 \ m} \left[ \frac{1}{r^{2}} \frac{d}{dr} \left(r^{2} \...
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0answers
19 views

Derivation of generation of time between two subsequent particle enters into computational domain

I have problem with understanding derivation of one equation in following problem. You have 1D computational domain (it is not 1D but because it is symmetrical and we are watching only radial ...
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1answer
86 views

Simulation of relativistic probe passing through an external solar system

I recently read about the Breakthrough Initiative to launch "StarShot", a nano-probe that is designed to travel to Alpha Centauri at $0.2c$. One of the challenges to be solved involves the precise ...
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0answers
26 views

Matrix representation of the radial Laplace operator isn't symmetric (or hermition as a result)

I'm working with the cylindrical coordinates. I'm using the central difference to convert the radial part of Laplace operator into a matrix. $\nabla^2 u = \frac{\partial ^2u}{\partial r^2}+\frac{1}{r}...
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1answer
75 views

Can I re-wind gravity?

Suppose I perform an arbitrary simulation where I integrate the motions of a collection of particles which interact only gravitationally. Suppose I use a time reversible integrator (to be specific, ...
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1answer
68 views

How to conserve momentum when numerically-integrating the path of a charged particle through a magnetic field

I have the python script attached below, which is intended to track the trajectory of a charged particle in a static, uniform magnetic field. It is very simple to calculate the instantaneous force ...
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1answer
91 views

FCC-to-BCC phase transition in NaCl, Buckingham or Lennard-Jones potentials?

Background The transformation from B1 (face centered cubic (FCC) type) to B2 (body centered cubic (body centered cubic (BCC) type) structures is one of the best documented high pressure phase ...
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24 views

How is time evolution done in numerical GR?

Suppose we're simulating what happens when a fairly massive object falls into a black hole. Say the object starts far away, so that the initial condition is that the metric is the Schwarzschild metric ...
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16 views

Fermi-level of lattice model

I have a chain of $N$ lattice points with periodic boundary conditions. Every lattice point only has one orbital for an electron to occupy and spin is not included for simplicity. The lattice points ...
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1answer
66 views

Methods for handling close approaches in $N$-body simulations

In direct gravitational $N$-body simulations, what are the preferred methods for handling close approaches between bodies in order to preserve the accuracy of the evolution of the system?