多原子分子

红外激光场诱发下的多原子分子离解反应模型

The dissociation model of polyatomic molecule induced by infrared laser field

多原子分子势能面的李代数方法

Lie Algebraic Method on the Potential Energy Surface of Polyatomic Molecule

本文用群论方法推出多原子分子正则振动模式的可约表示特征标公式，在IBM微机上实现程序化，使红外光谱振动模式分解更加简便、实用。

The character of reducible representation for normal models of multi-atomic molecular system is formulated by group theoretical approach .

寻求多原子分子的准确电子波函数主要用MO法。

The search for accurate electronic wave functions of polyatomic molecules uses mainly the MO method .

在ABINITIO水平上获得了多原子分子的力常数。

Based on ab initio calculation , force constants of polyatomic molecule are obtained .

通过将Nose所定义的扩展系统哈密顿量推广到刚性多原子分子系统中，严格地推导了刚性多原子分子在正则系综下的运动方程。

By specializing the Hamiltonian of Nose 's extended system in rigid multibody systems , we develop rigorous motion equations for rigid multibody molecular dynamics in canonical ensemble .

首先用微扰论处理激光场修饰后的多原子分子态，然后研究了修饰态（Dressedstate）自发跃迁产生的荧光，并与没有激光时的相应过程进行了比较。

First of all , the authors treated multiatomic molecular states which were dressed in laser field with perturbation theory , then studied the produced fluorescence from spontaneous transition of dressed state , and compared it with the corresponding process without laser .

反应气氛法（RAP）的目的是去除氯化钾中10.6μm处具有高吸收截面的多原子分子/离子杂质。

The aim of reactive atmosphere process ( RAP ) is to eliminate the polyatomic molecular / ion impurities with high absorption cross section , at 10.6 μ m in KCl .

同核多原子分子的偶极矩探究

The Quest of Dipole Moment of the Homonuclear Multiple Atom Molecule

多原子分子振动力场的模型势函数方法的进一步研究

Further Study on the Model Potential Fuction Method of Polyatomic Molecule

用升降算符法计算多原子分子振动-转动能级

Calculation of Vibration-Rotational Energy Levels for Polyatomic Molecules by Ladder Operator Method

对多原子分子气体实验值与理论值有一定的偏差，说明能均分定理存在一定的局限性。

There is a certainty localization accounting for theorem of energy average .

多原子分子力场的量子化学研究

Quantum chemical study on force helds of polyatomic molecules and molecular ions

判断多原子分子中有无大π键的方法

A Method of Judging the Existence of π in a Polyatomic Molecule

一维多原子分子离子与超短激光场作用产生的高次谐波

High-Order Harmonic Generation from Multi-Atom Molecular Ion in an Ultra-Short Laser Field

利用密度泛函理论处理多原子分子问题的优势

The Priority of Solving Multi-atom Molecule with Density Function Theory

多原子分子在强红外激光场作用下的多光子光致离解理论

Theory of multi-photon photo-dissociation of polyatomic molecules in an intense infrared laser field

强激光与一维多原子分子离子的相互作用及高次谐波的增强

Multi-atom Molecular Ions in Intense Laser Pulse and Enhancement of High-order Harmonic Generation

刚性多原子分子的正则系综分子动力学算法

Rigid multibody molecular dynamics algorithm in canonical ensemble

激光诱导荧光法研究简单多原子分子的振动弛豫

The Study of Vibrational Relaxation in Simple Polyatomic Molecules by Laser & Induced Fluorescence

多原子分子材料的激光感生热致折射率光栅

Laser-induced Thermal Index Grating in Polyatomic Molecular Materials

多原子分子反应动态学的理论研究

Theoretical Studies for Dynamics of Polyatomic Reactions

模型势函法计算多原子分子力场的研究

Research in the Calculation of Force Field of Polyatomic Molecule Utilizing Model Potential Function Method

多原子分子高激发振动能谱的非线性量子理论计算的程序化

Routinized calculation of highly vibrational energy spectra of polyatomic molecules with non linear quantum theory

强激光场中线性多原子分子离子增强电离行为的研究

The Study of the Enhanced Ionization Behavior of Multiatomic Molecular Ions in the Intense Laser Fields

气固表面多原子分子振动能量传递过程的新模拟法

A New Method for Simulating the Vibrational Energy Transfer Process of Multi-atomic Molecules at Solid Surfaces

在偶极近似下，讨论了多原子分子在激光影响下的荧光过程。

Fluorescence processes of multiatomic molecule under the influence of laser are discussed in this paper .

量子化学从头计算中的电子云移动模型（Ⅱ）多原子分子

The Electron Cloud Displacement Model in The Ab Initio Calculation for Quantum Chemistry (ⅱ) Polyatomic Molecule

排列通道的量子力学&Ⅱ、氢同位素多原子分子结构的研究

Arrangement channel quantum mechanics ii , the study on the molecular structure for polyatomic hydrogen isotope molecules

从理论上研究了在多原子分子材料中，由激光感生的热致折射率光栅及其驰豫效应。

Laser-induced thermal index grating and its relaxation effect in polyatomic molecular materials have been studied theoretically .