Potential energy, dipole moment, and electronic transition m om ent functions for the A 377 and X3Z~ states o f PH have been calculated from highly correlated electronic wavefunctions. The electric dipole moments in the vibrational ground state of PH are calculated to be 0.637 Debye (A3 77) and 0.403 Debye (X32"_). The predicted rates o f spontaneous emission between low lying vibrational states of the X state lie in the range of 46 to 109 sec-1 (PH) and 12 to 30 sec-1 (PD). The calculated radiative lifetime of the v' = 0 level in the A377 state o f 400 ns is lower by about 10 percent than the most recent experimental value. The classical intersection o f the 5 I~ and the A3 77 state has been calculated to lie between v' = 2 and 3 with an expected uncertainty o f about 500 c m "1, whereas the onset of the rotationally dependent predissociation lies at v' = 0, J' = 11.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.