Open Access
Table 1
Properties of the asymptotic limits and stationary points of 3A′ and 3A′′ PESs(a).
| RPN | RPC | RCN | E(b) | |
|---|---|---|---|---|
| 3A′ | ||||
| CNP | 1.59 | 2.59 | 1.40 | −138 |
| TSC + PN → CNP | 1.54 | 3.05 | 2.04 | 42 |
| 3A′′ | ||||
| CPN | 1.54 | 1.77 | 3.26 | −102 |
| CNP | 1.70 | 2.89 | 1.19 | −474 |
| NCP | 2.95 | 1.77 | 1.18 | −533 |
| TSCPN → N + CP | 2.50 | 1.59 | 4.10 | 84 |
| TSCPN → CNP | 1.63 | 1.75 | 2.72 | −62 |
| TSCNP → NCP | 2.01 | 1.99 | 1.21 | −389 |
| Asymptotic limits | ||||
| C(3P) + PN(1 Σ+) | 1.51 | − | − | 0 |
| N(4S)+CP(2Σ+) | − | 1.58 | − | 83 |
| P(4S) + CN(2 Π) | − | − | 1.25 | −33 |
| P(4S)+CN(2Σ+) | − | − | 1.18 | −140 |
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