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Tuesday Seminar of Analysis
Seminar information archive ～04/18｜Next seminar｜Future seminars 04/19～
| Date, time & place | Tuesday 16:00 - 17:30 156Room #156 (Graduate School of Math. Sci. Bldg.) |
|---|---|
| Organizer(s) | ISHIGE Kazuhiro, SAKAI Hidetaka, ITO Kenichi |
2019/11/26
16:50-18:20 Room #128 (Graduate School of Math. Sci. Bldg.)
ASHIDA Sohei (Gakushuin University)
Accurate lower bounds for eigenvalues of electronic Hamiltonians (Japanese)
ASHIDA Sohei (Gakushuin University)
Accurate lower bounds for eigenvalues of electronic Hamiltonians (Japanese)
[ Abstract ]
Electronic Hamiltonians are differential operators depending on relative positions of nuclei as parameters. When we regard an eigenvalues of an electronic Hamiltonian as a function of relative positions of nuclei, minimum points correspond to shapes of molecules. Upper bounds for eigenvalues are obtained by variational methods. However, since the physical information as minimum points does not change when a reference point of energy changes, physical information can not be obtained by variational methods only. Combining lower and upper bounds physical information is obtained.
In this talk we discuss the Weinstein-Arnszajn intermediate problem methods for lower bounds of eigenvalues based on comparison of operators. A method for lower bounds of one-electronic Hamiltonians is also introduced. Some computations for two kinds of hydrogen molecule-ion are shown.
Electronic Hamiltonians are differential operators depending on relative positions of nuclei as parameters. When we regard an eigenvalues of an electronic Hamiltonian as a function of relative positions of nuclei, minimum points correspond to shapes of molecules. Upper bounds for eigenvalues are obtained by variational methods. However, since the physical information as minimum points does not change when a reference point of energy changes, physical information can not be obtained by variational methods only. Combining lower and upper bounds physical information is obtained.
In this talk we discuss the Weinstein-Arnszajn intermediate problem methods for lower bounds of eigenvalues based on comparison of operators. A method for lower bounds of one-electronic Hamiltonians is also introduced. Some computations for two kinds of hydrogen molecule-ion are shown.
