Ayaki Sunaga

8PUBLICATIONS
10CO-AUTHORS
Theoretical quantum chemistryThermodynamics and statistical physicsMain group metal chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterOptimisation
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Publications (8)

|May 07, 2026
Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfaces.

|Aug 08, 2025
Exact quantum dynamics of methanol: Full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational states.

Ayaki Sunaga, Tibor Győri, Gábor Czakó

|Feb 10, 2025
Strong parity-violation effects induced by large-amplitude motions: A quantum-dynamics study of substituted chiral methanols.

Ayaki Sunaga

|Sep 16, 2024
Structure and Excitation Spectra of Third-Row Transition Metal Hexafluorides Based on Multi-Reference Exact Two-Component Theory.

Ayaki Sunaga

|Dec 14, 2022
Diffuse Basis Functions for Relativistic s and d Block Gaussian Basis Sets.

Kenneth G Dyall, Paweł Tecmer, Ayaki Sunaga

|Nov 14, 2022
Linearity and Chemical Bond of UO22+ Revisited: A Comparison Study with UN2 and UE22+ (E = S, Se, and Te) Based on Relativistic Calculations.

Ayaki Sunaga, Chihiro Tabata, Tomoo Yamamura

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Frequent Collaborators

2 joint publications

Edit Mátyus

1 joint publications

Kenji Shirasaki

1 joint publications

Tomoo Yamamura

1 joint publications

Maen Salman