Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Xi Xu

9PUBLICATIONS

10CO-AUTHORS

Theoretical quantum chemistryNonlinear optics and spectroscopyQuantum information, computation and communicationRadiation and matterAtomic and molecular physics

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (9)

Sort by Publication Date:

|Feb 12, 2026

Analytic evaluation of dipole derivatives in constrained nuclear-electronic orbital framework: Impact of nuclear quantum effects on infrared intensities.

Yuzhuo Yang, Xi Xu

|Apr 15, 2025

Modeling electronic absorption spectra with nuclear quantum effects in constrained nuclear-electronic orbital framework.

Xi Xu

|Dec 23, 2024

Assessment of electron-proton correlation functionals for vibrational spectra of shared-proton systems by constrained nuclear-electronic orbital density functional theory.

Yuzhuo Yang, Yuzhe Zhang, Yang Yang

|Jan 11, 2024

Sb<sub>4</sub>O<sub>5</sub>I<sub>2</sub>: Enhancing Birefringence through Optimization of Sb/I Ratio for Alignment of Stereochemically Active Lone Pairs.

Jingyu Guo, Xiangtong Zhan, Jiating Lan

|Dec 14, 2023

Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods.

Yuzhe Zhang, Yiwen Wang, Xi Xu

|Jul 20, 2023

Constrained Nuclear-Electronic Orbital Density Functional Theory with a Dielectric Continuum Solvent Model.

Xi Xu

Pageof 2

Frequent Collaborators

4 joint publications

Yang Yang

3 joint publications

Zehua Chen

3 joint publications

Yuzhe Zhang

2 joint publications

Yuzhuo Yang

1 joint publications

Hong Jiang

1 joint publications

Nan Yang

1 joint publications

Yiwen Wang

1 joint publications

Xin Liu

1 joint publications

Li-Ming Wu

1 joint publications

Ling Chen

Frequent Collaborators

4 joint publications

Yang Yang

3 joint publications

Zehua Chen

3 joint publications

Yuzhe Zhang

2 joint publications

Yuzhuo Yang

Top Related Videos

Production of Synthetic Nuclear Melt Glass

Production of Synthetic Nuclear Melt Glass

Published on : Jan 04, 2016

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on : May 27, 2020

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

See more related videos

Top Related Videos

Production of Synthetic Nuclear Melt Glass

Production of Synthetic Nuclear Melt Glass

Published on : Jan 04, 2016

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on : May 27, 2020

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

See more related videos