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Journal Articles

Strong coupling assisted high-Q and giant chiroptical responses at near-ultraviolet frequency in planar metasurfaces

Jingyu Wang, Weimin Yang, Yonglin He

J. Chem. Phys. 162, 174704 (2025)

https://doi.org/10.1063/5.0263451

Published: May 2025

View articletitled, Strong coupling assisted high-Q and giant chiroptical responses at near-ultraviolet frequency in planar metasurfaces

Journal Articles

The Amsterdam Modeling Suite

J. Chem. Phys. 162, 162501 (2025)

https://doi.org/10.1063/5.0258496

Published: April 2025

View articletitled, The Amsterdam Modeling Suite

Journal Articles

Magnetically driven molecular orientational ordering in plastic crystals: The case of d-camphor

Miao Miao Zhao (赵苗苗), Na Du (杜娜), Yu Ying Zhu (朱语盈), Fei Yen (晏飛翔)

J. Chem. Phys. 160, 154506 (2024)

https://doi.org/10.1063/5.0198042

Published: April 2024

View articletitled, Magnetically driven molecular orientational ordering in plastic crystals: The case of d-camphor

Journal Articles

Response to “Comment on ‘Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces’” [J. Chem. Phys. 160, 107101 (2024)]

Ren-Hui Zheng, Wen-Mei Wei, Shuo-Cang Zhang

J. Chem. Phys. 160, 107102 (2024)

https://doi.org/10.1063/5.0177277

Published: March 2024

View articletitled, Response to “Comment on ‘Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces’” [J. Chem. Phys. 160, 107101 (2024)]

Journal Articles

Enhanced ferromagnetic properties achieved by F-doping in BaFe_1−xMn_xO_3−δ

Jun Huang, Jiwen Yang, Yangkai Wang, Jian Zhang, Jianlin Wang, Zhengping Fu, Ranran Peng, Yalin Lu

J. Chem. Phys. 160, 034702 (2024)

https://doi.org/10.1063/5.0186858

Published: January 2024

View articletitled, Enhanced ferromagnetic properties achieved by F-doping in BaFe1−xMnxO3−δ

Includes: Supplementary data

Journal Articles

Diagrammatic theory of magnetic and quadrupolar contributions to sum-frequency generation in composite systems

Thomas Noblet, Bertrand Busson

J. Chem. Phys. 160, 024704 (2024)

https://doi.org/10.1063/5.0187520

Published: January 2024

View articletitled, Diagrammatic theory of magnetic and quadrupolar contributions to sum-frequency generation in composite systems

Journal Articles

Real-time time-dependent self-consistent field methods with dynamic magnetic fields

Meilani Wibowo-Teale, Benjamin J. Ennifer, Andrew M. Wibowo-Teale

J. Chem. Phys. 159, 104102 (2023)

https://doi.org/10.1063/5.0160317

Published: September 2023

View articletitled, Real-time time-dependent self-consistent field methods with dynamic magnetic fields

Includes: Supplementary data

Journal Articles

Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexes

Rami Shafei, Ai Hamano, Christophe Gourlaouen, Dimitrios Maganas, Keiko Takano, Chantal Daniel, Frank Neese

J. Chem. Phys. 159, 084102 (2023)

https://doi.org/10.1063/5.0153742

Published: August 2023

View articletitled, Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexes

Includes: Supplementary data

Journal Articles

Flying characterization of colliding partners by hyperfine splitting frequency of neutral paramagnetic atoms

Kiyoshi Ishikawa

J. Chem. Phys. 159, 064303 (2023)

https://doi.org/10.1063/5.0161491

Published: August 2023

View articletitled, Flying characterization of colliding partners by hyperfine splitting frequency of neutral paramagnetic atoms

Journal Articles

A relativistic configuration interaction method with general expansions and initial applications to electronic g-factors

Andreas Nyvang, Jeppe Olsen

J. Chem. Phys. 159, 044102 (2023)

https://doi.org/10.1063/5.0152655

Published: July 2023

View articletitled, A relativistic configuration interaction method with general expansions and initial applications to electronic g-factors

Journal Articles

Prediction of new spin-forbidden transitions in the N₂ molecule—the electric dipole A′⁵Σ_g⁺ → A³Σ_u⁺ and magnetic dipole a′¹Σ_u⁻← A³Σ_u⁺ transitions

Boris Minaev, Ramon S. da Silva, Olexander Panchenko, Hans Ågren

J. Chem. Phys. 158, 084304 (2023)

https://doi.org/10.1063/5.0136465

Published: February 2023

View articletitled, Prediction of new spin-forbidden transitions in the N2 molecule—the electric dipole A′5Σg+ → A3Σu+ and magnetic dipole a′1Σu−← A3Σu+ transitions

Journal Articles

Electronic circular dichroism from real-time propagation in state space

M. Monti, M. Stener, E. Coccia

J. Chem. Phys. 158, 084102 (2023)

https://doi.org/10.1063/5.0136392

Published: February 2023

View articletitled, Electronic circular dichroism from real-time propagation in state space

Includes: Supplementary data

Journal Articles

Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces

Ren-Hui Zheng, Wen-Mei Wei, Shuo-Cang Zhang

J. Chem. Phys. 158, 074701 (2023)

https://doi.org/10.1063/5.0139895

Published: February 2023

View articletitled, Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces

Includes: Supplementary data

Journal Articles

Derivation and implementation of the optical rotation tensor for chiral crystals

Ty Balduf, Marco Caricato

J. Chem. Phys. 157, 214105 (2022)

https://doi.org/10.1063/5.0130385

Published: December 2022

View articletitled, Derivation and implementation of the optical rotation tensor for chiral crystals

Includes: Supplementary data

Journal Articles

Two bridge-particle-mediated RET between chiral molecules

A. Salam

J. Chem. Phys. 157, 104110 (2022)

https://doi.org/10.1063/5.0105172

Published: September 2022

View articletitled, Two bridge-particle-mediated RET between chiral molecules

Journal Articles

Revisiting the link between magnetic properties and chemisorption at graphene nanoribbon zigzag edge

Ziyang Wei, Philippe Sautet

J. Chem. Phys. 156, 044706 (2022)

https://doi.org/10.1063/5.0079064

Published: January 2022

View articletitled, Revisiting the link between magnetic properties and chemisorption at graphene nanoribbon zigzag edge

Includes: Supplementary data

Journal Articles

Equation of motion coupled-cluster study of core excitation spectra II: Beyond the dipole approximation

Young Choon Park, Ajith Perera, Rodney J. Bartlett

J. Chem. Phys. 155, 094103 (2021)

https://doi.org/10.1063/5.0059276

Published: September 2021

View articletitled, Equation of motion coupled-cluster study of core excitation spectra II: Beyond the dipole approximation

Journal Articles

Origin invariant full optical rotation tensor in the length dipole gauge without London atomic orbitals

Marco Caricato, Ty Balduf

J. Chem. Phys. 155, 024118 (2021)

https://doi.org/10.1063/5.0053450

Published: July 2021

View articletitled, Origin invariant full optical rotation tensor in the length dipole gauge without London atomic orbitals

Includes: Supplementary data

Journal Articles

A joint experimental and theoretical study on structural, electronic, and magnetic properties of MnGe_n⁻ (n = 3–14) clusters

Yi-Wei Fan, Xiang-Yu Kong, Li-Juan Zhao, Huai-Qian Wang, Hui-Fang Li, Qian Zhan, Biao Xie, Hong-Guang Xu, Wei-Jun Zheng

J. Chem. Phys. 154, 204302 (2021)

https://doi.org/10.1063/5.0053414

Published: May 2021

View articletitled, A joint experimental and theoretical study on structural, electronic, and magnetic properties of MnGen− (n = 3–14) clusters

Includes: Supplementary data

Journal Articles

Resonance energy transfer mediated by a chiral molecule

A. Salam

J. Chem. Phys. 154, 074111 (2021)

https://doi.org/10.1063/5.0042684

Published: February 2021

View articletitled, Resonance energy transfer mediated by a chiral molecule

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Strong coupling assisted high-Q and giant chiroptical responses at near-ultraviolet frequency in planar metasurfaces

The Amsterdam Modeling Suite

Magnetically driven molecular orientational ordering in plastic crystals: The case of d-camphor

Response to “Comment on ‘Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces’” [J. Chem. Phys. 160, 107101 (2024)]

Enhanced ferromagnetic properties achieved by F-doping in BaFe_1−xMn_xO_3−δ

Diagrammatic theory of magnetic and quadrupolar contributions to sum-frequency generation in composite systems

Real-time time-dependent self-consistent field methods with dynamic magnetic fields

Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexes

Flying characterization of colliding partners by hyperfine splitting frequency of neutral paramagnetic atoms

A relativistic configuration interaction method with general expansions and initial applications to electronic g-factors

Prediction of new spin-forbidden transitions in the N₂ molecule—the electric dipole A′⁵Σ_g⁺ → A³Σ_u⁺ and magnetic dipole a′¹Σ_u⁻← A³Σ_u⁺ transitions

Electronic circular dichroism from real-time propagation in state space

Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces

Derivation and implementation of the optical rotation tensor for chiral crystals

Two bridge-particle-mediated RET between chiral molecules

Revisiting the link between magnetic properties and chemisorption at graphene nanoribbon zigzag edge

Equation of motion coupled-cluster study of core excitation spectra II: Beyond the dipole approximation

Origin invariant full optical rotation tensor in the length dipole gauge without London atomic orbitals

A joint experimental and theoretical study on structural, electronic, and magnetic properties of MnGe_n⁻ (n = 3–14) clusters

Resonance energy transfer mediated by a chiral molecule

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