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薛定谔方程

1926
  • Erwin Schrödinger
Physicist's workspace with Schrödinger Equation and quantum mechanics materials.

(图片仅供参考)

This is a fundamental equation in quantum mechanics that describes how the quantum state of a physical system changes over time. It is a linear 偏微分 equation for the wavefunction, [latex]\Psi(x, t)[/latex]. The time-dependent version is [latex]i\hbar\frac{\partial}{\partial t}\Psi = \hat{H}\Psi[/latex], where [latex]\hat{H}[/latex] is the 汉密尔顿 运算符,表示系统的总能量。

薛定谔方程是牛顿第二定律的量子力学对应物。 第二定律 在经典力学中,牛顿定律预测粒子的运动轨迹,而薛定谔方程则预测系统波函数的未来行为。波函数Ψ是一个复值概率振幅,其幅值的平方|Ψ|²给出了粒子在给定位置和时间出现的概率密度。该方程主要有两种形式:含时形式和不含时形式。

The time-dependent Schrödinger equation (TDSE), [latex]i\hbar\frac{\partial}{\partial t}\Psi(x, t) = \hat{H}\Psi(x, t)[/latex], describes a system evolving in time. The time-independent Schrödinger equation (TISE), [latex]\hat{H}\Psi(x) = E\Psi(x)[/latex], is used for systems in a stationary state, where the energy [latex]E[/latex] is constant. Solving the TISE for a given potential yields the allowed energy eigenvalues ([latex]E[/latex]) and the corresponding energy eigenfunctions ([latex]\Psi[/latex]), which represent the stable states of the system, such as the electron orbitals in an atom. The 汉密尔顿 operator [latex]\hat{H}[/latex] is constructed from the classical expression for the total energy (kinetic plus potential) by replacing classical variables with their corresponding quantum operators. For a single non-relativistic particle, [latex]\hat{H} = -\frac{\hbar^2}{2m}\nabla^2 + V(x, t)[/latex].

UNESCO Nomenclature: 2210
- 量子物理学

类型

抽象系统

中断

革命

用法

广泛使用

前体

  • 哈密​​顿力学(1833年)
  • 德布罗意的波粒二象性假设(1924 年)
  • 矩阵力学(海森堡, 1925)
  • 经典波动方程

应用程序

  • 预测原子和分子轨道(量子化学)
  • 设计半导体器件
  • 模拟核反应
  • understanding 超导
  • 量子计算算法设计

专利:

NA

潜在创新理念

  • 人工智能驱动的新药物和新材料的分子设计
  • 在经典超级计算机上实时模拟量子系统
  • 蛋白质折叠的预测模型
  • 用于设计半导体中定制量子阱的软件
  • automated discovery of novel 催化剂
  • 量子金融建模软件
  • simulators for astrophysical quantum phenomena
  • 量子计算机控制系统
Related to: Schrödinger equation, wavefunction, Hamiltonian operator, quantum state, 偏微分 equation, quantum mechanics, probability amplitude, energy levels.

历史背景

薛定谔方程

1922
1924
1925
1926
1926
1927
1927
1921
1924
1924
1925
1926
1927
1927
1930

(如果日期未知或不相关,例如“流体力学”,则提供其显著出现的近似估计)

第十年 周年纪念日

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