Publications by authors named "Jake A Tan"

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Theoretical Analysis of the ν + ν Combination Bands in Hydrogen Bihalide Anions, XHX, X = {F, Cl, Br, and I}.
Jake A Tan, Jer-Lai Kuo

J Phys Chem A· November 2025

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Grassmann extrapolation via direct inversion in the iterative subspace.
Ka Un Lao, Kalana Wickramasinghe, Jake A Tan

J Chem Phys· October 2025

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Mapping spin contamination-free potential energy surfaces using restricted open-shell methods with Grassmannians.
Jake A Tan, Ka Un Lao

Phys Chem Chem Phys· January 2024

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Ab initio anharmonic analysis of complex vibrational spectra of phenylacetylene and fluorophenylacetylenes in the acetylenic and aromatic C-H stretching region.
Sumitra Singh, Qian-Rui Huang, Jake A Tan, Jer-Lai Kuo, G Naresh Patwari

J Chem Phys· September 2023

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An accurate and efficient fragmentation approach via the generalized many-body expansion for density matrices.
Francisco Ballesteros, Jake A Tan, Ka Un Lao

J Chem Phys· August 2023

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Approaching the "Zundel" Limit: Tuning the Vibrational Coupling in NHNg, Ng = {He, Ne, Ar, Kr, Xe, and Rn}.
Jake A Tan, Rona F Barbarona, Jer-Lai Kuo

J Phys Chem A· July 2023

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The Grassmann interpolation method for spin-unrestricted open-shell systems.
Jake A Tan, Ka Un Lao

J Chem Phys· June 2023

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Generating accurate density matrices on the tangent space of a Grassmann manifold.
Jake A Tan, Ka Un Lao

J Chem Phys· February 2023

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Spectral Signatures of Protonated Noble Gas Clusters of Ne, Ar, Kr, and Xe: From Monomers to Trimers.
Jake A Tan, Jer-Lai Kuo

Molecules· May 2022

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Structural and vibrational characterization of HCO and Rg-HCO, Rg = {He, Ne, Ar, Kr, and Xe}.
Jake A Tan, Soon Teh, Jer-Lai Kuo

J Chem Phys· November 2021

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Fermi resonance switching in KrHRg and XeHRg (Rg = Ne, Ar, Kr, and Xe).
Jake A Tan, Jer-Lai Kuo

J Chem Phys· April 2021

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Strong Fermi Resonance Associated with Proton Motions Revealed by Vibrational Spectra of Asymmetric Proton-Bound Dimers.
Qian-Rui Huang, Ryunosuke Shishido, Chih-Kai Lin, Chen-Wei Tsai, Jake A Tan

Angew Chem Int Ed Engl· January 2021

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Structure and Vibrational Spectra of ArH ( = 2-3).
Jake A Tan, Jer-Lai Kuo

J Phys Chem A· September 2020

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A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg-H-Rg), Rg = {Ne, Ar, Kr, and Xe}.
Jake A Tan, Jer-Lai Kuo

J Chem Phys· March 2019

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Multilevel Approach for Direct VSCF/VCI MULTIMODE Calculations with Applications to Large "Zundel" Cations.
Jake A Tan, Jer-Lai Kuo

J Chem Theory Comput· December 2018

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Infrared spectra and anharmonic coupling of proton-bound nitrogen dimers N-H-N, N-D-N, and N-H-N in solid para-hydrogen.
Hsin-Yi Liao, Masashi Tsuge, Jake A Tan, Jer-Lai Kuo, Yuan-Pern Lee

Phys Chem Chem Phys· August 2017

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Tuning the vibrational coupling of HO by changing its solvation environment.
Jake A Tan, Jheng-Wei Li, Cheng-Chau Chiu, Hsin-Yi Liao, Hai Thi Huynh

Phys Chem Chem Phys· November 2016

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A closer examination of the coupling between ionic hydrogen bond (IHB) stretching and flanking group motions in (CH3OH)2H(+): the strong isotope effects.
Jake A Tan, Jer-Lai Kuo

Phys Chem Chem Phys· June 2016

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Strong Quantum Coupling in the Vibrational Signatures of a Symmetric Ionic Hydrogen Bond: The Case of (CH3OH)2H(.).
Jake A Tan, Jer-Lai Kuo

J Phys Chem A· November 2015

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