. 2023 Oct 31;127(44):9346–9356. doi: 10.1021/acs.jpca.3c04363

Table 4. Models for the H(1s²) cc-pVTZ Density.

	Q(m)		L_–1/2(m)		L_+1/2(m)		L_+3/2(m)
m	λ_i	c_i	λ_i	c_i	λ_i	c_i	λ_i	c_i
1	+1.032	1.000	+0.876	1.000	+1.011	1.000	+1.159	1.000
	= 1.8 × 10^–1		= 1.7 × 10^–1		= 1.8 × 10^–1		= 2.1 × 10^–1
2	+0.421	0.610	+0.315	0.572	+0.497	0.700	+0.719	0.824
	+1.827	0.390	+1.802	0.428	+2.083	0.300	+2.455	0.176
	= 5.1 × 10^–2		= 5.5 × 10^–2		= 4.2 × 10^–2		= 6.7 × 10^–2
3	+0.004	0.262	+0.027	0.308	+0.219	0.456	+0.439	0.621
	+0.935	0.533	+1.102	0.563	+1.396	0.476	+1.741	0.348
	+2.250	0.204	+2.583	0.129	+2.974	0.068	+3.430	0.031
	= 2.8 × 10^–2		= 1.8 × 10^–2		= 1.2 × 10^–2		= 2.0 × 10^–2
4	–0.174	0.161	–0.139	0.186	–0.036	0.249	+0.316	0.519
	+0.660	0.465	+0.765	0.521	+0.908	0.521	+1.478	0.412
	+1.564	0.295	+1.849	0.260	+2.027	0.208	+2.838	0.066
	+2.776	0.080	+3.361	0.032	+3.581	0.022	+4.621	0.003
	= 1.2 × 10^–2		= 5.4 × 10^–3		= 4.5 × 10^–3		= 1.2 × 10^–2
5	–0.196	0.147	–0.165	0.169	–0.130	0.189	–0.057	0.228
	+0.550	0.325	+0.707	0.499	+0.758	0.506	+0.831	0.496
	+1.008	0.254	+1.709	0.278	+1.787	0.261	+1.854	0.238
	+1.833	0.233	+2.917	0.050	+3.074	0.042	+3.148	0.037
	+3.183	0.041	+4.455	0.004	+4.810	0.002	+4.924	0.002
	= 5.7 × 10^–3		= 1.6 × 10^–3		= 6.6 × 10^–4		= 7.1 × 10^–4
6	–0.196	0.147	–0.190	0.152	–0.176	0.161	–0.135	0.183
	+0.539	0.305	+0.610	0.412	+0.660	0.459	+0.730	0.490
	+0.961	0.255	+1.225	0.211	+1.436	0.214	+1.684	0.254
	+1.738	0.219	+1.927	0.187	+2.043	0.132	+2.421	0.046
	+2.411	0.049	+3.147	0.036	+3.192	0.033	+3.268	0.026
	+3.456	0.024	+4.874	0.002	+4.936	0.002	+4.975	0.002
	= 4.7 × 10^–3		= 2.5 × 10^–4		= 1.5 × 10^–4		= 1.8 × 10^–4

Table 4. Models for the H(1s2) cc-pVTZ Density.