魏 恆理

研究成果

每年研究成果 1999 2008 2011 2012 2014 2016 2018 2020 2021 2023

• 109 Article
• 3 Review article
• 2 Chapter
• 1 Meeting Abstract
• 2 更多
  • 1 Comment/debate
  • 1 Letter

每年研究成果

每年研究成果

搜尋結果

• 2004

  The Genetic Algorithms Population Pluglet for the H2O Metacomputing System

  Ampula, T., Kurzyniec, D., Sunderam, V. & Witek, H., 12月 2004, 於: Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 3036, p. 140-147 8 p.

  研究成果: Article › 同行評審

  • Metacomputing 100%
  • Genetic Algorithm 52%
  • Genetic algorithms 34%
  • Distributed Algorithms 25%
  • Parallel algorithms 18%
• 2003

  Multireference perturbation theory with optimized partitioning. I. Theoretical and computational aspects

  Witek, H. A., Nakano, H. & Hirao, K., 8 5月 2003, 於: Journal of Chemical Physics. 118, 18, p. 8197-8206 10 p.

  研究成果: Article › 同行評審

  • Perturbation Theory 99%
  • perturbation theory 71%
  • wave functions 66%
  • configuration interaction 43%
  • Energy 40%
  35 引文 斯高帕斯（Scopus）

• Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems

  Witek, H. A., Nakano, H. & Hirao, K., 9月 2003, 於: Journal of Computational Chemistry. 24, 12, p. 1390-1400 11 p.

  研究成果: Article › 同行評審

  • Perturbation Theory 100%
  • Partitioning 85%
  • Multireference Configuration Interaction 83%
  • Davidson Oxazole Synthesis 45%
  • Ethylene 44%
  24 引文 斯高帕斯（Scopus）
• 2002

  Intruder state avoidance multireference Møller-Plesset perturbation theory

  Witek, H. A., Choe, Y. K., Finley, J. P. & Hirao, K., 7月 2002, 於: Journal of Computational Chemistry. 23, 10, p. 957-965 9 p.

  研究成果: Article › 同行評審

  • Perturbation Theory 100%
  • Energy 57%
  • Formamide 46%
  • Porphyrin 30%
  • Denominator 29%
  185 引文 斯高帕斯（Scopus）

• Theoretical study of the unusual potential energy curve of the A¹Σ⁺ state of AgH

  Witek, H. A., Fedorov, D. G., Hirao, K., Viel, A. & Widmark, P. O., 15 3月 2002, 於: Journal of Chemical Physics. 116, 19, p. 8396-8406 11 p.

  研究成果: Article › 同行評審

  • Potential Energy 100%
  • potential energy 83%
  • Orbital 81%
  • Vibrational Energy 61%
  • Rotational Constant 57%
  18 引文 斯高帕斯（Scopus）
• 2001

  Identifying and removing intruder states in multireference Møller-Plesset perturbation theory

  Choe, Y. K., Witek, H. A., Finley, J. P. & Hirao, K., 1 3月 2001, 於: Journal of Chemical Physics. 114, 9, p. 3913-3918 6 p.

  研究成果: Article › 同行評審

  • Perturbation Theory 100%
  • perturbation theory 72%
  • Hamiltonian 49%
  • Energy 40%
  • perturbation 38%
  61 引文 斯高帕斯（Scopus）
• 2000

  Diagrammatic complete active space perturbation theory: Calculations on benzene, N₂, and LiF

  Finley, J. P. & Witek, H. A., 1 3月 2000, 於: Journal of Chemical Physics. 112, 9, p. 3958-3963 6 p.

  研究成果: Article › 同行評審

  • benzene 100%
  • perturbation theory 84%
  • Benzene 70%
  • Electronic Excitation 61%
  • Hamiltonian 57%
  33 引文 斯高帕斯（Scopus）

• Relativistic and correlated all-electron calculations on the ground and excited states of AgH and AuH

  Witek, H. A., Nakijima, T. & Hirao, K., 8 11月 2000, 於: Journal of Chemical Physics. 113, 18, p. 8015-8025 11 p.

  研究成果: Article › 同行評審

  • Potential Energy 100%
  • potential energy 83%
  • Excited State 78%
  • Ground State 78%
  • Quantum Number 69%
  41 引文 斯高帕斯（Scopus）
• 1999

  Structure of ice multilayers on metals

  Witek, H. & Buch, V., 8 2月 1999, 於: Journal of Chemical Physics. 110, 2-12, p. 3168-3175 8 p.

  研究成果: Article › 同行評審

  • ice 100%
  • Multilayer 90%
  • ferroelectricity 78%
  • flattening 77%
  • metals 52%
  42 引文 斯高帕斯（Scopus）