Spherical-Harmonics Expansion Method for Density-Matrix Simulations of Quantum Electron Dynamics in Continuum States

Kitamura Hikaru

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Spherical-Harmonics Expansion Method for Density-Matrix Simulations of Quantum Electron Dynamics in Continuum States

机译：连续态量子电子动力学密度矩阵模拟的球谐函数展开法

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Spherical-harmonics expansion method is proposed to solve the quantum time-evolution equations for density matrices numerically in momentum space. This method facilitates efficient real-time simulations of quantum electron dynamics in continuum states through extension of our previous formalism developed for discrete states. Numerical accuracy and efficiency are demonstrated through two examples: (i) multiphoton ionization of a one-electron atom in intense laser field, and (ii) real-time dynamics of plasma oscillations in electron liquids. In case (i), coupled dynamics of density matrices for bound and continuum states reveals an enhancement of multiphoton ionization over the Keldysh approximation through resonant intermediate states. (C) 2015 Wiley Periodicals, Inc.

机译：提出了球谐谐波展开法，以求解动量空间中密度矩阵的量子时间演化方程。通过扩展我们先前为离散态开发的形式主义，该方法有助于对连续态的量子电子动力学进行高效的实时仿真。数值精度和效率通过两个示例得到证明：（i）在强激光场中单电子原子的多光子电离;以及（ii）电子液体中等离子体振荡的实时动态。在情况（i）中，束缚态和连续态的密度矩阵耦合动力学表明，通过共振中间态，多光子电离比Keldysh近似要强。（C）2015威利期刊公司

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《International Journal of Quantum Chemistry》 |2015年第22期|共10页
作者
Kitamura Hikaru;
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quantum electron dynamics; density matrix; spherical-harmonics expansion; multiphoton ionization; plasma oscillation;

机译：量子电子动力学密度矩阵球形调和膨胀多光子电离等离子体振荡;

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1. Spherical-Harmonics Expansion Method for Density-Matrix Simulations of Quantum Electron Dynamics in Continuum States [J] . Kitamura Hikaru International Journal of Quantum Chemistry . 2015,第22期

机译：连续态量子电子动力学密度矩阵模拟的球谐函数展开法
2. Electronic density-matrix algorithm for nonadiabatic couplings in molecular dynamics simulations [J] . Tommasini M., Mukamel S., Chernyak V. International Journal of Quantum Chemistry . 2001,第4a5期

机译：分子动力学模拟中非绝热偶合的电子密度矩阵算法
3. Electronic density-matrix algorithm for nonadiabatic couplings in molecular dynamics simulations [J] . Tommasini M., Mukamel S., Chernyak V. International Journal of Quantum Chemistry . 2001,第4a5期

机译：分子动力学模拟中非绝热偶合的电子密度矩阵算法
4. TIME-DEPENDENT SIMULATIONS OF SUB-CONTINUUM HEAT GENERATION EFFECTS IN ELECTRONIC DEVICES USING THE LATTICE BOLTZMANN METHOD [C] . Rodrigo A. Escobar, Cristina H. Amon, Sartaj S. Ghai, ASME(American Society of Mechanical Engineers) International Mechanical Engineering Congress: Micro-Electro-Mechanical Systems(MEMS); 20031115-20031121; Washington,DC; US . 2003

机译：用格子Boltzmann方法模拟电子设备中的亚连续热产生效应
5. Study of spin-lattice relaxation rates in solids: Lattice frame method compared with quantum density-matrix method, and Glauber dynamic. [D] . Solomon, Lazarus. 2006

机译：固体中自旋晶格弛豫速率的研究：与量子密度矩阵法比较的格构架法和Glauber动力学。
6. High-temperature high-pressure phases of lithium from electron force field (eFF) quantum electron dynamics simulations [O] . Hyungjun Kim, Julius T. Su, William A. Goddard III 2011

机译：基于电子力场（eFF）量子电子动力学模拟的锂高温高压相
7. Variational Cluster Approximation combined with Dynamical Density-Matrix Renormalization Group Method(New Development of Numerical Simulations in Low-Dimensional Quantum Systems: From Density Matrix Renormalization Group to Tensor Network Formulations) [O] . Shirakawa Tomonori, Jeckelmann Eric 2011

机译：变分簇近似与动态密度矩阵重归一化组方法相结合（低维量子系统数值模拟的新进展：从密度矩阵重归一化组到张量网络公式）
8. Methods and Tools to Allow Molecular Flow Simulations to be Coupled to Higher Level Continuum Descriptions of Flows in Porous/Fractured Media and Aerosol/Dust Dynamics. [R] . Loyalka, S. 2015

机译：允许分子流模拟与多孔/裂缝介质中的流动和气溶胶/尘埃动力学的更高水平连续性描述相结合的方法和工具。

Spherical-Harmonics Expansion Method for Density-Matrix Simulations of Quantum Electron Dynamics in Continuum States

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