18884 J. Phys. Chem., Vol. 100, No. 48, 1996
Additions and Corrections
ADDITIONS AND CORRECTIONS 1996, Volume 100 David W. Schwenke: Variational Calculations of Rovibrational Energy Levels and Transition Intensities for Tetratomic Molecules There are a large number of typographic errors in this paper. They are corrected below. There are no corrections to any of the numerical results or conclusions. Page 2868. Equation 7 should be as shown below and li2 after eq 7 should be ˆli2. 3
TRB ) ∑(lˆi2p2/2µiri2)
(7)
i)1
Page 2869. Equations 15-17 should be
( ) 2l1 + 1
JMP ψ Lpj ) 23l1
JMP ) ψ ˜ Lpj 23Ω
[
1/2
4π
]
2J + 1 8π(1 + δΩ0)
1/2
(j23Ωl10| j23l1JΩ)ΦLpj ∑ Ω
23Ω
(J) (ω ˜ )D ΩM (RLBβLBγLB)
(15)
(J) (J) [ΦLpj23Ω(ω ˜ )D ΩM (RLBβLBγLB) + P(-1)J+ΩΦ* ˜ )D -ΩM (RLBβLBγLB)] Lpj23Ω(ω
) δLL′ δpp′ δj23j′23 T lJMP 1Lpj23,L′p′j′23Ω
[ ][
1 + (-1)l1pP 2l1 + 1 2 2J + 1
]
2
1/2
1 + δΩ0
(16)
1/2
(j23Ωl10| j23l1JΩ)
(17)
Page 2870. The end of the last sentence in the paragraph containing eq 20 should be ω ˜ γLB. In the next paragraph, ω should be ω ˜ in two places. In the next to last sentence in the paragraph containing eq 21, ω should be ω ˜ . In the paragraph containing eq 22, z axis should be x axis. Page 2871. Equation 30 should be
〈l′2l′3k′Ω ( 1JMP|TRB|l2l3kΩJMP〉 ) -δl2l′2 δl3l′3[1 + δmin(Ω+|k|,Ω(1+|k′|)0]-1/2λ((J,Ω)
{
p2 P(-1)J min(Ω,Ω - 1) ) 0 otherwise 2µ1r12 1
× {δkk′ λ((l3,Ω - k) + δk′ k(1λ-(l2,k) + P(-1)Jδmin(Ω,Ω(1)0[δk -k′ λ((l3,k) + δk 1-k′ λ-(l2,k)]} (30) Page 2872. Equation 36 should be
Φ ˜ Pc n2n3k0 )
( ) 2 1 + δk0
{
1/2
Y˜ n(2)2k(θ˜ 2,0)Y˜ n(3)3-k(θ˜ 3,0)
cos kφ˜ 3
P(-1)J ) +1
(36)
i sin kφ˜ 3 P(-1)J ) -1
Page 2874. After eq 63, the final stretching function product should be f ν(1)1 (r1)F23-1/2f ν(FF23)(F23) f ν(χχ23)(χ23). 23 23 Page 2875. The relation used to phase the E components is (Pˆ 12 - Pˆ 13)E (2) ) 31/2E (1). Page 2876. Equations 85-87 should be
〈l′2l′3k′P′J′Ω|l˜2˜l 3k˜P ˜ |l2l3kPJΩ + 1〉 )
[
-P ˜ [4(1 + δk˜0)(1 + δk˜1)]1/4(1 + δΩ0δk′0)-1/2
00 k′ -k˜k 00 Ω-k′ k˜-1 Ω+1-k I l′2˜l 2l2 I l′3˜l 3l3
˜ |l2l3kPJΩ-1〉 ) 〈l′2l′3k′P′J′Ω|l˜2˜l 3k˜P [4(1 + δk˜0)(1 + δk˜1)]1/4(1 + δΩ1δk0)-1/2 ˜ |l2 j23kpPJΩ〉 ) 〈l′2 j′23k′p′P′J′Ω|l˜2 ˜j 23k˜p˜ P
[
{
00 k′ k˜k 00 Ω-k′ 1-k˜ Ω-1-k I l′2˜l 2l2 I l′3˜l 3l3
(
1 - p′pP ˜ (-1) ˜j 23 2 2 1 + δk˜0
)
1/4
]
P′(-1)J′ Ω ) 0 ˜ -k 00 -k′ 1-k˜ k-Ω-1 + δΩ0 00I l′k′k I l′3˜l 3l3 (85) 2˜l 2l2 1 Ω>0
{
]
P(-1)J Ω ) 1 ˜ -k 00 Ω-k′ 1-k˜ k + δΩ1 00I l′k′k I l′3˜l 3l3 (86) 2˜l 2l2 1 Ω >1
˜k (1 + δk0)-1/2(1 + δk′0)-1/2˜I l′k′k × 2˜l 2l2
˜k ˜k -k˜k -P ˜ (-1)k˜ ΩΩI j′k′23-k ˜ p′(-1) j′23+k ΩΩI j′-k′ ] (87) [ΩΩI j′k′k ˜j 23 j23 - (1 + δk0δk′0δk˜0)P 23 ˜j 23 j23 23 ˜j 23 j23
Page 2877. The left-hand side of eq 88 should be
〈l′2 j′23k′p′P′J′Ω|l˜2 ˜j 23k˜p˜ P ˜ |l2 j23kpPJΩ(1〉 Page 2879. The phrase eqs 92 and 93 should be eqs 93 and 94. Page 2883. Equation B.10 should be
[j23(j23 + 1) - Ω(Ω ( 1)]1/2(l2k2l3k3|l2l3 j23Ω) ) [l2(l2 + 1) - k2(k2 ( 1)]1/2(l2k2 ( 1l3k3|l2l3 j23Ω ( 1) + [l3(l3 + 1) - k3(k3 ( 1)]1/2(l2k2l3k3 ( 1|l2l3 j23Ω ( 1) (B.10) JP9629147
