Theoretical Solid State Physics

0087088科恩该基金支持凝聚态物理和材料科学的长期、广泛的研究计划。 研究范围包括半导体、金属、表面和界面、缺陷、超导性、压力下的材料、团簇、富勒烯基材料、纳米管、共轭聚合物和固体中的多电子效应。 主要目的是利用量子理论来解释和预测材料的性质。 重点放在使用现实的模型，与实验人员，调查和生产新的和有用的材料，新的理论方法的发展，并预测相关的电子和固体结构特性的建议密切合作。在这个研究项目中，开发了许多基于量子理论的新技术，以实现对真实的材料的精确计算。 特别是，从头算赝势方法和总能量技术内的密度泛函形式主义计算基态性质。 激发态（光谱）的现象进行了研究，使用第一性原理的自能方法的基础上的GW近似的准粒子激发和从头算两粒子绿色的功能方法的基础上的Bethe-Saltpeter方程的光激发。 其他研究依赖于变分和扩散蒙特卡罗方法，分子动力学模拟，介电函数方法，BCS理论，密度泛函微扰理论和标准多体理论的扩展。建议的项目包括理解和预测纳米管和纳米晶体的性质;硬材料和机械性能;半导体，异质结和压力下的材料;固体和液体中的NMR化学位移;电子-空穴相互作用和固体，缺陷和聚合物的光学性质;准粒子激发，寿命和固体中的电子相关性;量子计算和计算机的赎金访问设备。该研究计划具有支持研究生和博士后助理的强大历史。 由于研究生和博士后广泛参与这些项目，专业知识和知识在国内和国际上得到了转移。该补助金支持凝聚态物理和材料科学的长期，广泛的研究计划。 研究范围包括半导体、金属、表面和界面、缺陷、超导性、压力下的材料、团簇、富勒烯基材料、纳米管、共轭聚合物和固体中的多电子效应。 主要目的是利用量子理论来解释和预测材料的性质。 重点放在使用逼真的模型，与实验人员的密切合作，调查和生产新的和有用的材料的建议，新的理论方法的发展，以及与固体的电子和结构性质的预测。该研究计划具有支持研究生和博士后的强大历史。 由于研究生和博士后广泛参与这些项目，专业知识和知识在国内和国际上得到了转让。

0087088CohenThis grant supports a long-range, broad-based research program in condensed matter physics and materials science. The research covers the fields of semiconductors, metals, surfaces and interfaces, defects, superconductivity, materials under pressure, clusters, fullerene-based materials, nanotubes, conjugated polymers, and many-electron effects in solids. The major objective is to use quantum theory to explain and predict the properties of materials. Emphasis is placed on using realistic models, close collaborations with experimentalists, investigations and suggestions for producing novel and useful materials, development of new theoretical approaches, and predictions related to electronic and structural properties of solids. Many new techniques based on quantum theory were developed in this research program to enable accurate calculations for real materials. In particular, the ab initio pseudopotential method and total energy techniques are applied within the density functional formalism to compute ground-state properties. Excited-state (spectroscopic) phenomena are investigated using a first-principles self-energy approach based on the GW approximation for quasiparticle excitations and an ab initio two-particle Green's function method based on the Bethe-Saltpeter equation for optical excitations. Other studies rely on variational and diffusion Monte Carlo approaches, molecular dynamics simulations, dielectric function methods, BCS theory, density functional perturbation theory, and extensions of standard many-body theory.Proposed projects include understanding and predicting properties of nanotubes and nanocrystals; hard materials and mechanical properties; semiconductors, heterojunctions, and materials under pressure; NMR chemical shifts in solids and liquids; electron-hole interaction and optical properties of solids, defects, and polymers; quasiparticle excitations, lifetimes, and electron correlations in solids; and quantum computing and ransom access devices for computers.The research program has a strong history of supporting graduate students and postdoctoral associates. Because of this extensive involvement of graduate students and postdoctoral associates in these projects, expertise and knowledge are transferred nationally and internationally.%%%This grant supports a long-range, broad-based research program in condensed matter physics and materials science. The research covers the fields of semiconductors, metals, surfaces and interfaces, defects, superconductivity, materials under pressure, clusters, fullerene-based materials, nanotubes, conjugated polymers, and many-electron effects in solids. The major objective is to use quantum theory to explain and predict the properties of materials. Emphasis is placed on using realistic models, close collaborations with experimentalists, investigations and suggestions for producing novel and useful materials, development of new theoretical approaches, and predictions related to electronic and structural properties of solids.The research program has a strong history of supporting graduate students and postdoctoral associates. Because of this extensive involvement of graduate students and postdoctoral associates in these projects, expertise and knowledge are transferred nationally and internationally.***