- 期刊
- OpenAccess
Evaluation of Two-Center Overlap Integrals in Molecular Coordinate System over Slater Type Orbitals
並列摘要
Using Talman's formulae for overlap integrals in lined-up coordinate systems and Guseinovs transformation technique, a new algorithm is presented for computing the two-center overlap integrals over Slater type orbitals (STOs) with respect to the molecular coordinate system (nonlined-up coordinate systems) appearing in the Hartree-Fock-Roothaan (HFR) equations. The numerical stability of the computational results is analyzed.
並列關鍵字
無資料被引用紀錄
Lin, H. K. (2006). 應用於氮化鎵發光二極體之氧化鋅透明導電接觸層 [master's thesis, National Tsing Hua University]. Airiti Library. https://doi.org/10.6843/NTHU.2006.00086
劉信寬（2009）。有機-無機複合金屬磷酸鹽及多維度鎂金屬化合物的新式合成及研究〔碩士論文，中原大學〕。華藝線上圖書館。https://doi.org/10.6840/cycu200900780
廖信璋（2005）。奈米銅插層之改質型黏土的製備
與性質探討〔碩士論文，中原大學〕。華藝線上圖書館。https://doi.org/10.6840/cycu200500603
黃憲中（2013）。電鍍銅銦硒薄膜之材料特性、成長行為控制及電化學結晶行為-應用於銅銦硒太陽能電池〔博士論文，國立臺灣大學〕。華藝線上圖書館。https://doi.org/10.6342/NTU.2013.00031
徐為哲（2009）。鎂鐵雙摻近等化學計量比鉭酸鋰晶體生長及其特性之研究〔博士論文，國立臺灣大學〕。華藝線上圖書館。https://doi.org/10.6342/NTU.2009.02522
延伸閱讀
- H.Tai (1994). Generalized Method for Solving Multi-Center Molecular Integrals of Slater Type Orbitals. Chinese Journal of Physics, 32(6), 847-862. https://www.airitilibrary.com/Article/Detail?DocID=05779073-199412-201212180004-201212180004-847-862
- Li, J., Zhao, X., Wu, J., & Yang, J. (2012). A Stabilized Low Order Finite-Volume Method for the Three-Dimensional Stationary Navier-Stokes Equations. Mathematical Problems in Engineering, 2012(), 665-678-139. https://doi.org/10.1155/2012/297269
- Gonczarek, R., Krzyzosiak, M., Gonczarek, A., & Jacak, L. (2015). On New Families of Integrals in Analytical Studies of Superconductors within the Conformal Transformation Method. Advances in Condensed Matter Physics, 2015(), 850-858. https://doi.org/10.1155/2015/835897
- Mahomed, K. S., & Momoniat, E. (2013). Algebraic Properties of First Integrals for Scalar Linear Third-Order ODEs of Maximal Symmetry. Abstract and Applied Analysis, 2013(), 497-504-656. https://doi.org/10.1155/2013/530365
- 陳成、楊遠威、徐雙富、黃炯家、邱宏達（1990）。The Molecular Internal Rotation Study of Approximate Self-Consistent Molecular Orbital Method。化學，48(1)，7-14。https://doi.org/10.6623/chem.1990002