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• W1984963882 abstract "The first six A11 excited states of water are investigated within the framework of the single-center method. Energies, wavefunctions, and electronic densities are found using a basis set which consists of 29 Slater-type orbits (with noninteger principal quantum numbers). For each state the orbital parameters (n's and ζ's) are carefully optimized. The ordering of the states and the major contributing configuration of each state is in agreement with experiment. Particular emphasis is placed on the electronic rearrangement that occurs during excitation, and this is explicitly brought out by the contour maps of the electronic density." @default.
• W1984963882 created "2016-06-24" @default.
• W1984963882 creator A5024027642 @default.
• W1984963882 creator A5081964783 @default.
• W1984963882 date "1971-04-01" @default.
• W1984963882 modified "2023-09-27" @default.
• W1984963882 title "Investigation of the 1A1 Excited States of Water" @default.
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• W1984963882 doi "https://doi.org/10.1063/1.1675274" @default.
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