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ss0832のサイト。主に計算化学の検証データベース及び勉強の備忘録兼、Linux/PowerShellの技術メモ。検証ログをアーカイブしています。管理人は現状GitHubと当ブログでのみ活動しております。 This is ss0832's website. Primarily a verification database and study notes for computational chemistry, as well as technical memos for Linux and PowerShell. Archiving verification logs. I am currently active only on GitHub and this blog, mainly for computational chemistry projects.

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Recent Posts

2026

2 posts

Quartic Force Field (QFF) による多原子分子の非調和振動解析：n-Mode Coupling Representation の数理的基盤と実装

#Theoretical Chemistry #Vibrational Spectroscopy #QFF #VSCF #Anharmonicity

完全自動化された二次摂動論による非調和振動特性の算出：理論的枠組みと実装（改訂版）

#Computational Chemistry #Vibrational Spectroscopy #VPT2 #Anharmonicity #DFT #Gaussian