Moment distributions of clusters and molecules in the adiabatic rotor model

Abstract
We present a Fortran program to compute the distribution of dipole moments of free particles for use in analyzing molecular beams experiments that measure moments by deflection in an inhomogeneous field. The theory is the same for magnetic and electric dipole moments, and is based on a thermal ensemble of classical particles that are free to rotate and that have moment vectors aligned along a principal axis of rotation. The theory has two parameters, the ratio of the magnetic (or electric) di...

Title of program: AdiabaticRotor
Catalogue Id: ADZO_v1_0

Nature of problem
The system considered is a thermal ensemble of rotors having a magnetic or electric moment aligned along one of the principal axes. The ensemble is placed in an external field which is turned on adiabatically. The problem is to find the distribution of moments in the presence of the external field.

Versions of this program held in the CPC repository in Mendeley Data
ADZO_v1_0; AdiabaticRotor; 10.1016/j.cpc.2007.06.011

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

摘要
我们开发了一款Fortran程序，用于计算自由粒子的偶极矩分布，以辅助分析通过非均匀场偏转来测量矩的分子束实验。该理论适用于磁偶极矩与电偶极矩，其基于可自由转动且矩矢量沿转动主轴对齐的经典粒子热系综。本理论包含两个参数，即磁（或电）偶极矩的比值……

程序名称：AdiabaticRotor
目录编号：ADZO_v1_0

问题本质
所研究的系统为一类转子构成的热系综，这类转子的磁矩或电矩沿某一转动主轴对齐。将该系综置于绝热开启的外场中，本程序旨在求解外场存在时的矩分布。

该程序存放在Mendeley数据平台的《计算机物理学报（Computer Physics Communications, CPC）》仓库中，版本信息为：ADZO_v1_0；AdiabaticRotor；10.1016/j.cpc.2007.06.011

本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019年）