最近准备系统学习一下蒙卡算法。使用的教材是”Monte Carlo Simulation ain Statistical Physics - An Introduction, Sixth Edition, Kurt Binder, Dieter W. Heermann”, 是比较基本的教材,学校有买电子书。
另有一本 “Quantum Monte Carlo Methods: Algorithms for Lattice Models, J. Gubernatis, et. al., 2016” 这本书写也还行,但是似乎到处都没找到电子版,好在校图书馆有一本。
量子系统和静电系统的区别就在于量子系统中存在非对异性,以及根据粒子统计性质的不同需要对称或者反对称的波函数。上述量子性体现在蒙卡算法中,还会出现符号问题(sign problem)。
首先,需要学习经典的蒙特卡罗算法。因为量子蒙卡是利用蒙卡算法计算量子系统。0. Concepts in probability
- A Sample space is s set of possible outcomes
.
An event is a set of outcomes that satisfies some criterion.
The probability of an event, , must be:
(i);
(ii) if the eventinclude all outcomes in the sample space, then ;
(iii) ifbreaks into and that have no common outcome, then . A random variable
maps an outcome to a real number.
Events can thus be described by random variables, e.g.. In the following we will work on the level of random variables. We write the probability as as or . The cumulative distribution function of a random variable
is .
Ifis everywhere differentiable, then the random variable is continuous and we can define the probability density: .
If the random variable is discrete, we may only write. If we have two random variables
and , the joint probability is . The relation to sigle-variable probability is:
If, then the two variables are said to be statistically independent. The conditional probability
is the probability of given that occurs.
We can find the Bayes’ theorem:。 For multiple random variables, the conditional probability distribution:
$f(x1,\dots,x_k|x{k+1},\dots,xn) = \frac{f(x_1,\dots , x_n)}{f(x{k+1},\dots,x_n)}$.- From this we can derive the Chapman-KOlmogotoff equation:
- And we can also derive the conditional probability chain rule:
$f(x1,\dots,x_n) = f(x_n|x{n-1},\dots,x_1)\dots f(x_2|x_1)f(x_1)$.