Table 1 Eigenvalues in units
of hc cm
−1 for the three
models of the CO/Cu(100)
system studied in this work
Model 1
Model 2
Model 3
1
9.3044927
7.4514339
6.0324626
2
9.3044927
7.4514339
6.0324626
3
9.3044927
7.4514339
6.0324626
4
27.420351
25.614879
20.573429
5
27.420351
25.614879
20.573429
6
27.420431
25.614879
20.573429
7
44.499464
47.398140
37.739086
8
44.499867
47.398140
37.739086
9
44.499867
47.398140
37.739086
10
60.417300
69.890443
55.460539
11
60.417300
69.890443
55.460539
12
60.424881
69.890443
55.460539
13
74.926166
93.159297
74.132113
14
75.020613
93.159297
74.132193
15
75.020613
93.159297
74.132193
16
87.586489
117.41747
93.926894
17
87.586489
117.41747
93.926894
18
88.361427
117.41747
93.927056
19
96.662485
142.82966
114.80141
20
99.297740
142.82966
114.80246
21
99.297740
142.82966
114.80246
22
106.48987
169.38522
136.56717
23
106.48987
169.38522
136.56717
24
113.72861
169.38522
136.57257
25
114.53251
196.98068
158.98108
26
123.22184
196.98076
159.00624
27
123.22184
196.98076
159.00624
28
133.38709
225.46084
181.78842
29
133.38709
225.46084
181.78842
30
144.53068
225.46141
181.89650
31
144.54085
254.66626
204.44147
32
156.61231
254.66803
204.85862
33
156.61231
254.66803
204.85862
34
169.58364
284.45941
226.70818
35
169.58364
284.45941
226.70818
36
183.42814
284.46764
228.19893
37
183.42822
314.29362
246.01999
38
198.13123
314.32725
249.85903
39
198.13123
314.32725
249.85903
40
213.68224
345.02875
266.05981
41
213.68224
345.02875
266.05981
(continued)
184
T. Firmino et al.
of hc cm
−1 for the three
models of the CO/Cu(100)
system studied in this work
Model 1
Model 2
Model 3
1
9.3044927
7.4514339
6.0324626
2
9.3044927
7.4514339
6.0324626
3
9.3044927
7.4514339
6.0324626
4
27.420351
25.614879
20.573429
5
27.420351
25.614879
20.573429
6
27.420431
25.614879
20.573429
7
44.499464
47.398140
37.739086
8
44.499867
47.398140
37.739086
9
44.499867
47.398140
37.739086
10
60.417300
69.890443
55.460539
11
60.417300
69.890443
55.460539
12
60.424881
69.890443
55.460539
13
74.926166
93.159297
74.132113
14
75.020613
93.159297
74.132193
15
75.020613
93.159297
74.132193
16
87.586489
117.41747
93.926894
17
87.586489
117.41747
93.926894
18
88.361427
117.41747
93.927056
19
96.662485
142.82966
114.80141
20
99.297740
142.82966
114.80246
21
99.297740
142.82966
114.80246
22
106.48987
169.38522
136.56717
23
106.48987
169.38522
136.56717
24
113.72861
169.38522
136.57257
25
114.53251
196.98068
158.98108
26
123.22184
196.98076
159.00624
27
123.22184
196.98076
159.00624
28
133.38709
225.46084
181.78842
29
133.38709
225.46084
181.78842
30
144.53068
225.46141
181.89650
31
144.54085
254.66626
204.44147
32
156.61231
254.66803
204.85862
33
156.61231
254.66803
204.85862
34
169.58364
284.45941
226.70818
35
169.58364
284.45941
226.70818
36
183.42814
284.46764
228.19893
37
183.42822
314.29362
246.01999
38
198.13123
314.32725
249.85903
39
198.13123
314.32725
249.85903
40
213.68224
345.02875
266.05981
41
213.68224
345.02875
266.05981
(continued)
184
T. Firmino et al.
