2. 您的位置
3. 首页
4. 会议论文
5. Reaction and vibrational dynamics on high dimensional permutationally invariant potential energy sur

Reaction and vibrational dynamics on high dimensional permutationally invariant potential energy sur

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：zhy724458069

【摘 要】

：

Potential energy surfaces are the heart of dynamics calculations,whether quantum,semi-classical or classical,and for applications ranging from vibrational dynamics to multichannel reaction dynamics.

【作 者】

：

J.M.Bowman 

【机 构】

：

Department of Chemistry,Emory University,USA

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

下载到本地 , 更方便阅读

下载此文 赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

Potential energy surfaces are the heart of dynamics calculations,whether quantum,semi-classical or classical,and for applications ranging from vibrational dynamics to multichannel reaction dynamics.

其他文献

Super-resolution wide field microscope based on pure phase element

Over the past hundred years,microscope play a important role in the field of bio-photonics due to its excellent imaging performance for helping human investigating the microcosmic1.

会议

Super-resolutionDiffractive optical elementMicroscope

Application of rare earth based upconversion nanomaterials restrictions and possibilities

In this presentation we shall focus on the advantages and disadvantages of rare earth doped upconversion nanomaterials in applications,such as bioimaging,therapy,labelling,photocatalysis,local light s

会议

nanomaterialsupconversion luminescenceenergy migrationrare earth ions

Chiral Optical Properties of Nanocomplexes Composed of Molecules, Quantum Dots and Metal Nanoparticl

Chirality at nanoscale is of fundamental importance in the understanding of light-matter interaction at nanoscale and has various applications in many fields of physics,chemistry,biology,and materials

会议

NanocomplexesPlasmonCircular dichroism

3D modified Iterative Fourier transform algorithm for colorful pure phase hologram

Over the twenty years,due to the fast growing demand of 3D micro-display and augmented realitysystem[1-3],3D colorful holographic projection has been developed rapidly.

会议

Holographic displayDiffractive optical elementColor Holography

Second- and Third-Harmonic Generation in One Dimension Nonlinear Bandgap Structures for Obliquely In

Transfer matrix method is adapted to analyze the phenomenon of second and third harmonic generation in multilayer photonic bandgap structures [1-6].

会议

Nonlinear opticstransfer matrix methodsecond harmonic generationthird harmoni

Electron transport behavior in graphene nanoribbonsystem:A density functional theory approach

In order to study the electron transport behavior in single large conjugated carbon system,we designed a series of graphene nanoribbons composed of oligoacenes with different overlapping degreesusing

会议

A computational approach for the discrimination of agonists and antagonists for glutamate receptors

Ionotropic glutamate receptors(iGluR)are located at the membranes of neuronal cells and play key roles in synaptic plasticity.Proper function of the receptors is crucial for the central nervous system

会议

Quantum differential cross sections for polyatomic reactions

Differential cross sections(DCSs) of chemicalreactions characterize the effectivetarget area of the colliding reactants thatleads to the scattering of reaction products into aparticular angle range.Th

会议

Real-time simulation on the dynamic spin manipulation in a double quantum dot system

A crucial requirement for quantum-information processing is the flexible and accurate controlling of the spin states in quantum dot systems [1].

会议

Nano-scale displacement sensing based on van der Waals interaction

We propose that a nano-scale displacement sensor with high resolution for weak-force systems can be realized based on vertically stacked two-dimensional(2D) atomic corrugated layer materials bound thr

会议