scholarly journals Excited states of a phosphorus pair in silicon: Combining valley-orbital interaction and electron-electron interactions

2021 ◽  
Vol 104 (3) ◽  
Author(s):  
W. Wu ◽  
A. J. Fisher
2011 ◽  
Vol 10 (03) ◽  
pp. 349-358 ◽  
Author(s):  
BING JIN ◽  
DONGSHENG WANG ◽  
JIANYONG LIU

We have theoretically studied the photodissociation spectroscopy of Ca +-formaldehyde complex using the TD-B2-PLYP method. The SDD pseudopotential and basis sets for Ca and 6-31++G (2df, 2pd) basis sets for C , H , and O atoms were employed in all calculations. In this way, we have reassigned the photodissociation spectroscopy of this complex. All experimentally observed spectral features can be well explained by our calculation. Besides the charge–dipole interaction, a strong molecule–orbital interaction also exists in the excited states and plays an important role in photoexcitation of the Ca+–CH2O complex.


2005 ◽  
Vol 38 (5) ◽  
pp. 565-578 ◽  
Author(s):  
Hironobu Fukuzawa ◽  
Takeshi Odagiri ◽  
Tomoharu Nakazato ◽  
Makoto Murata ◽  
Haruhide Miyagi ◽  
...  

2008 ◽  
Vol 41 (19) ◽  
pp. 195204 ◽  
Author(s):  
Lisa Ishikawa ◽  
Takeshi Odagiri ◽  
Kazufumi Yachi ◽  
Tomoharu Nakazato ◽  
Manabu Kurokawa ◽  
...  

1988 ◽  
Vol 102 ◽  
pp. 239
Author(s):  
M.S.Z. Chaghtai

Using R.D. Cowan’s computations (1979) and parametric calculations of Meinders et al (1982), old analyses are thoroughly revised and extended at Aligarh, of Zr III by Khan et al (1981), of Nb IV by Shujauddin et Chaghtai (1985), of Mo V by Tauheed at al (1985). Cabeza et al (1986) confirmed the last one largely.Extensive studies have been reported of the 1–e spectra, Zr IV (Rahimullah et al 1980; Acquista and Reader 1980), Nb V (Shujauddin et al 1982; Kagan et al 1981) and Mo VI (Edlén et al 1985). Some interacting 4p54d2levels of these spectra have been reported from our laboratory, also.Detailed spectral analyses of transitions between excited states have furnished complete energy values for J ≠ 1 levels of these spectra during 1970s and 80s. Shujauddin et al (1982) have worked out Nb VI and Tauheed et al (1984) Mo VII from our lab, while Khan et al (1981) share the work on Zr V with Reader and Acquista (1979).


Physica ◽  
1952 ◽  
Vol 18 (2) ◽  
pp. 1101-1104
Author(s):  
B FLOWERS
Keyword(s):  

1985 ◽  
Vol 46 (C7) ◽  
pp. C7-409-C7-412 ◽  
Author(s):  
C. K. Jørgensen
Keyword(s):  

1984 ◽  
Vol 45 (C4) ◽  
pp. C4-337-C4-350 ◽  
Author(s):  
K. A. Snover

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