量子化学与理论Quantum & theoretical chemistry
30 个词条30 entries
- 量子化学Quantum chemistry
- 薛定谔方程Schrödinger equation
- 波函数Wave function
- 波粒二象性Wave–particle duality
- 不确定性原理Uncertainty principle
- 德布罗意波Matter wave
- 光电效应Photoelectric effect
- 黑体辐射Black-body radiation
- 普朗克常数Planck constant
- 氢原子光谱Hydrogen spectral series
- 里德伯公式Rydberg formula
- 玻恩-奥本海默近似Born–Oppenheimer approximation
- 哈特里-福克方法Hartree–Fock method
- 密度泛函理论Density functional theory
- 休克尔分子轨道法Hückel method
- LCAO近似Linear combination of atomic orbitals
- 基组Basis set (chemistry)
- 电子相关Electron correlation
- 自旋多重度Multiplicity (chemistry)
- 分子力学Molecular mechanics
- 分子动力学Molecular dynamics
- 计算化学Computational chemistry
- 群论Group theory
- 选择定则Selection rule
- 弗兰克-康登原理Franck–Condon principle
- 雅布隆斯基图Jablonski diagram
- 系间窜越Intersystem crossing
- 玻尔兹曼分布Boltzmann distribution
- 配分函数Partition function (statistical mechanics)
- 统计热力学Statistical mechanics