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Volumn 68, Issue 5, 1998, Pages 329-350

Comparative study of errors in HeH- interaction energy calculations

Author keywords

Comparative study of errors; Electron correlation; Heh ; SCF

Indexed keywords


EID: 0000336852     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)68:5<329::AID-QUA4>3.0.CO;2-X     Document Type: Article
Times cited : (5)

References (70)
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • Jarive, J.O.1    Rauk, A.2    Edmiston, C.3
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
    • (1977) Chem. Phys. Lett. , vol.52 , pp. 457
    • Butscher, W.1    Shih, S.-K.2    Buenker, R.J.3    Peyerimoff, S.D.4
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
    • (1979) Chem. Phys. Lett. , vol.66 , pp. 358
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    • For example, (a) P. Russegger, H. Lischka, and P. Schuster, Chem. Phys. Lett. 12, 392 (1971). (b) M. Mayer and P. Pulay, J. Chem. Phys. 56, 2109 (1972). S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. Lett. 16, 235 (1972). T. Vladimiroff, Chem. Phys Lett. 24, 340 (1974). (e) M. Mayer and P. Pulay, Theor. Chim. Acta. 32, 253 (1974). (f) J. O. Jarive, A. Rauk, and C. Edmiston, Can. J. Chem. 52, 2778 (1974). (g) T. Vladimiroff, J. Chem. Phys. 64, 433 (1976). (h) P. G. Burton and B. R. Markey, Aust. J. Chem. 30, 231 (1977). P. G. Burton, Molec. Phys. 34, 51 (1977). (j) N. R. Carlsen, Chem. Phys. Lett. 51, 192 (1977) (k) M. Urban, S. Pavlik, and T. Kozar, Chem. Zvesti 31, 165 (1977). W. Butscher, S.-K Shih, R. J. Buenker, and S. D. Peyerimoff, Chem. Phys. Lett. 52, 457 (1977). D. Neisius and G. Verhaegen, Chem. Phys. Lett. 66, 358 (1979). (n) L. Lawlor, K. Vasudevan, and F. Grein, Chem. Phys. Lett. 75, 79 (1980). (o) J. S. Wright and R. J. Williams, J. Chem. Phys. 78, 5264 (1983). (p) J. S. Wright and R. J. Buenker, Chem. Phys. Lett. 106, 570 (1984). (q) C. W. Bauschlicher Jr., Chem. Phys. Lett. 122, 572 (1985).
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