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이천우 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.8
We obtain the general formulation which can handle the rotational preionization spectrum of H2 in the region above its H2 + ionization threshold (2 +g, v+ = 0, N+ = 0), converging toward its rotationally excited (v+ = 0, N+ = 2) limit and perturbed by the vibrationally excited levels 7pπ v = 1 and 5pπ v = 2. The formulation is based on phase-shifted multichannel quantum-defect theory. With this formulation, resonance structures are analyzed in detail.
이천우 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.7
Relations between fitted parameters for photoionization spectra both below and above the thresholds in the systems involving 3 channels are obtained using phase-shifted version of the multichannel quantum-defect theory. Analytical continuation of the photoionization cross sections in the form of is examined using several representations.
이천우,김정진 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.5
A previous study (Lee, C. W. J. Phys. B 2010, 43, 175002) that isolated the overlapping resonances in the photoionization spectra using multichannel quantum defect theory (MQDT) in systems involving a single open channel was extended to manage many open channels when the closed channels are degenerate. The theory was applied to the dipole allowed J = 1^o spectra from the ground state with excitation energies lying between the lowest ionization thresholds for rare gas atoms, Ar, Kr, and Xe, and also for group IV elements, Ge, Sn and Pb.
이천우 대한화학회 2014 Bulletin of the Korean Chemical Society Vol.35 No.5
Convergent all-electron multi-reference configuration-interaction (MRCI) calculations are performed for a lithium dimer with Kaufmann's Rydberg basis functions. A comparison of the results of these calculations with those of the effective core potential/core polarization potential (ECP/CPP) method and experimental data reveals the deficiency of the all-electron ab initio method. The deficiency is related to the mere 51.9% attainment of electron correlation for the ground state. The percent attainment of electron correlation for the first excited state is slightly better than that for the ground state, preventing us from obtaining better agreements with experimental data by means of increasing the size of basis sets. The Kaufmann basis functions are then used with the ECP/CPP method to obtain the accurate convergent potential energy curves for the 1Πu states correlated to Li(2p) + Li(2p) and Li(2s) + Li(n = 2, 3, 4). Quantum defect curves (QDCs) calculated for both the X 2Σg and 1 2Πu states of the Li2 + ion and the Lu-Fano plot reveal a strong series-series interaction between the two 2snpπ and 2pnpπ Rydberg series. The QDCs are then used to resolve assignment problems in the literature. The reassignments, performed by Jedrzejewski-Szemek et al., of the dissociation product of the D 1Πu state from (2s+3d) to (2s+3p) and that of the 6 1Πu from (2s+4d) to (2s+4p) are found to be incorrect. It may be more natural to assign their 2snpπ Rydberg series as a 2sndπ series. The state, assigned as 5p 1Πu by Ross et al. and 4d 1Π by Jedrzejewski-Szemek et al., is assigned as the 7 1Πu state, correlated to the Li(2s) + Li(4f) limit.
이천우,김영록,최태훈 대한화학회 2013 Bulletin of the Korean Chemical Society Vol.34 No.6
For the excited states of a hydrogen molecule up to n = 3 active spaces, potential energy curves (PECs) are obtained for values of the internuclear distance R in the interval [0.5, 10] a.u. within an accuracy of 1 × 10−4 a.u. (Hartree) compared to the accurate PECs of Kolos, Wolniewicz, and their collaborators by using the multireference configuration-interaction method and Kaufmann's Rydberg basis functions. It is found that the accuracy of the PECs can be further improved beyond 1 × 10−4 a.u. for that R interval by including the Rydberg basis functions with angular momentum quantum numbers higher than l = 4.
Correlations between States in the United Atom and Separated Atoms Limits in HeH+
이천우,이상문 대한화학회 2018 Bulletin of the Korean Chemical Society Vol.39 No.4
Correlations between states in the united atom and separated atoms limits in HeH+ are studied using the diabatic screened molecular orbitals, which are solutions of the Hartree‐like Schrödinger equation that is separable in prolate spheroidal coordinates. A method of vanishing orbital analysis is formulated to interpret the variation in nodal structures in the calculated diabatic orbitals as a function of nuclear separation. The concept of quasi‐homonuclear diatomic molecules is introduced to classify the bonding types and estimate the degree of promotion of Rydberg series in HeH+.
이천우,김강동,김진우,장중순 대한설비관리학회 2004 대한설비관리학회지 Vol.9 No.4
Two major failure mechanisms of MLCC are investigated : warpage and impact failure. Those mechanisms are due to environmental stresses occurringduring manufacturing and operation. Flexing test is performed to investigate their effects and some design guide-lines are proposed.
이천우,김석희 한국농촌건축학회 2019 농촌건축 : 한국농촌건축학회논문집 Vol.21 No.4
The purpose of this study is to investigate the change of Hidden gates form with the times. Fortresses position is constructed on the Korea mountain ranges. Hidden gate, one of facilities to construct fortress among various factors, represents as route of supplies way, ask for rescue, or counterattack plan to come in. The shape of hidden gate changes depend on land form, function, and time period. Previous research partially based on archeology or history. This research analyze Namhan mountain Namhansansung, one of the highest hidden gates count in Korea, distributive by main fortress, Bong-am fortress, Hanbong fortress. Nahhan Mountain fortress repeatedly affected by King Injo in Joseon Dynasty. As a result, Nahhan Mountain fortress consist of hidden gates alternation depend on the time of establishment or extension which makes different shape or size.