Free Access

Table A.4.

Computed excitation energies in cm−1 for the 45 lowest states in Si IV, as a function of the increasing active set of orbitals, accounting for CV correlation, where n indicates the maximum principle quantum number of the orbitals included in the active set, as well as CC correlation.

CV

Level n = 10 n = 11 n = 12 CC Eobs(a) Etheor(b) ΔECC ΔEtheor(b)
3s 2S1/2 0 0 0 0 0 0 0 0
3p 2P 71 407 71 353 71 351 71 211 71 288 71 159 77 128
3p 2P 71 870 71 813 71 812 71 667 71 749 71 667 82 81
3d 2D5/2 160 585 161 039 161 209 160 208 160 374 160 287 166 87
3d 2D3/2 160 587 161 041 161 210 160 210 160 376 160 281 166 94
4s 2S1/2 194 179 194 571 194 709 193 778 193 979 193 787 201 192
4p 2P 218 498 218 859 218 986 218 048 218 267 218 051 219 216
4p 2P 218 661 219 020 219 147 218 208 218 429 218 234 221 194
4d 2D5/2 250 200 250 743 250 933 249 767 250 008 249 827 241 181
4d 2D3/2 250 200 250 743 250 933 249 768 250 008 249 821 240 187
4f 2F 254 313 254 927 255 134 253 847 254 127 253 876 280 251
4f 2F 254 315 254 929 255 136 253 848 254 129 253 880 281 249
5s 2S1/2 265 617 266 135 266 312 265 166 265 418 265 216 252 202
5p 2P 276 718 277 218 277 387 276 244 276 504 276 281 260 223
5p 2P 276 794 277 293 277 462 276 319 276 579 276 365 260 214
5d 2D5/2 291 680 292 265 292 464 291 232 291 498 291 292 266 206
5d 2D3/2 291 680 292 265 292 464 291 232 291 498 291 290 266 208
5f 2F 293 898 294 519 294 727 293 431 293 719 293 475 288 244
5f 2F 293 899 294 520 294 728 293 432 293 719 293 477 287 242
5g 2G7/2 294 007 294 638 294 847 293 549 293 838 289
5g 2G9/2 294 008 294 638 294 848 293 550 293 838 288
6s 2S1/2 299 865 300 436 300 628 299 406 299 677 299 451 271 226
6p 2P 305 839 306 398 306 585 305 365 305 641 305 405 276 236
6p 2P 305 881 306 439 306 626 305 406 305 682 305 450 276 232
6d 2D3/2 314 092 314 698 314 901 313 638 313 915 313 688 277 227
6d 2D5/2 314 092 314 698 314 901 313 638 313 915 313 690 277 225
6f 2F 315 404 316 031 316 239 314 939 315 230 314 983 291 248
6f 2F 315 404 316 031 316 240 314 940 315 230 314 983 290 247
6g 2G7/2 315 475 316 106 316 315 315 016 315 305 289
6g 2G9/2 315 475 316 106 316 316 315 016 315 305 289
6h 2H 315 482 316 118 316 327 315 023 315 317 294
6h 2H 315 482 316 118 316 328 315 023 315 317 294
7s 2S1/2 318 924 319 520 319 719 318 463 318 743 318 505 280 238
7p 2P 322 500 323 089 323 285 322 029 322 313 322 069 284 244
7p 2P 322 525 323 114 323 309 322 054 322 338 322 097 284 241
7d 2D3/2 327 536 328 153 328 358 327 080 327 362 327 125 282 237
7d 2D5/2 327 536 328 153 328 358 327 080 327 362 327 125 282 237
7f 2F 328 370 329 001 329 210 327 908 328 200 327 950 292 251
7f 2F 328 371 329 001 329 210 327 908 328 200 327 950 292 250
7g 2G7/2 328 418 329 050 329 260 327 959 328 250 291
7g 2G9/2 328 419 329 051 329 260 327 959 328 250 291
7h 2H 328 423 329 059 329 269 327 963 328 257 294
7h 2H 328 423 329 059 329 269 327 964 328 257 293
7i 2I11/2 328 424 329 060 329 270 327 965 328 261 296
7i 2I13/2 328 425 329 061 329 270 327 965 328 261 296

Notes. Observed and computed excitation energies for the Si IV from the NIST-database () and the other theoretical study () are also given. In the last two columns, the difference ΔE between observed and computed energies is compared for the present and previous studies.

References.

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.