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Nakajima, Takahito, Nakatsuji, Hiroshi (1999) Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method. Chemical Physics, 242. 177-193 doi:10.1016/s0301-0104(99)00004-x

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Reference TypeJournal (article/letter/editorial)
TitleEnergy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method
JournalChemical Physics
AuthorsNakajima, TakahitoAuthor
Nakatsuji, HiroshiAuthor
Year1999 (April)Volume242
PublisherElsevier BV
DOIdoi:10.1016/s0301-0104(99)00004-xSearch in ResearchGate
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Mindat Ref. ID5957442Long-form Identifiermindat:1:5:5957442:8
GUID0
Full ReferenceNakajima, Takahito, Nakatsuji, Hiroshi (1999) Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method. Chemical Physics, 242. 177-193 doi:10.1016/s0301-0104(99)00004-x
Plain TextNakajima, Takahito, Nakatsuji, Hiroshi (1999) Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method. Chemical Physics, 242. 177-193 doi:10.1016/s0301-0104(99)00004-x
In(n.d.) Chemical Physics Vol. 242. Elsevier BV

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Nakajima, Takahito, Nakatsuji, Hiroshi (1997) Analytical energy gradient of the ground, excited, ionized and electron-attached states calculated by the SAC/SAC-CI method. Chemical Physics Letters, 280. 79-84 doi:10.1016/s0009-2614(97)01097-x
Nakatsuji, Hiroshi, Hasegawa, Jun‐ya, Hada, Masahiko (1996) Excited and ionized states of free base porphin studied by the symmetry adapted cluster‐configuration interaction (SAC‐CI) method. The Journal of Chemical Physics, 104 (6). 2321-2329 doi:10.1063/1.470927
Nakatsuji, Hiroshi (1979) Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC CI theories. Chemical Physics Letters, 67. 329-333 doi:10.1016/0009-2614(79)85172-6
Ishida, Mayumi, Toyota, Kazuo, Ehara, Masahiro, Nakatsuji, Hiroshi (2001) Analytical energy gradients of the excited, ionized and electron-attached states calculated by the SAC-CI general-R method. Chemical Physics Letters, 347. 493-498 doi:10.1016/s0009-2614(01)00995-2
Nakajima, Takahito, Nakatsuji, Hiroshi (1999) Second-order perturbative approximation to the SAC/SAC-CI method. Chemical Physics Letters, 300. 1-8 doi:10.1016/s0009-2614(98)01363-3
Miyahara, Tomoo, Nakatsuji, Hiroshi (2011) Absorption spectra of nucleic acid bases studied by the symmetry-adapted-cluster configuration-interaction (SAC-CI) method. Collection of Czechoslovak Chemical Communications, 76. 537-552 doi:10.1135/cccc2011023
Nakatsuji, H., Ohta, K., Hirao, K. (1981) Cluster expansion of the wave function. Electron correlations in the ground state, valence and Rydberg excited states, ionized states, and electron attached states of formaldehyde by SAC and SAC–CI theories. The Journal of Chemical Physics, 75 (6) 2952-2958 doi:10.1063/1.442386
Nakatsuji, Hiroshi (1979) Cluster expansion of the wavefunction. Calculation of electron correlations in ground and excited states by SAC and SAC CI theories. Chemical Physics Letters, 67. 334-342 doi:10.1016/0009-2614(79)85173-8
Hasegawa, J, Ehara, M, Nakatsuji, H (1998) Theoretical study on the ionized states of ethylene by the SAC-CI (general-R) method. Chemical Physics, 230. 23-30 doi:10.1016/s0301-0104(98)00064-0
Kurokawa, Yusaku I., Nakatsuji, Hiroshi, Hirato, Misaki, Yokoya, Akinari (2022) X-ray photoelectron spectroscopy of Thymine and 5-Bromouracil studied by Symmetry-Adapted-Cluster Configuration-Interaction (SAC-CI) theory. Chemical Physics Letters, 805. 139957 doi:10.1016/j.cplett.2022.139957
Miyahara, T., Nakatsuji, H., Hasegawa, J., Osuka, A., Aratani, N., Tsuda, A. (2002) Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster (SAC)—configuration interaction (CI) study. The Journal of Chemical Physics, 117 (24). 11196-11207 doi:10.1063/1.1521763
 
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