MOLPRO (English Wikipedia)

Analysis of information sources in references of the Wikipedia article "MOLPRO" in English language version.

Last modified: 13:14:20, 11 May 2026 (UTC)

Ref.Un. Ref.Website

Global rank English rank

1514doi.org

2^nd place

1211adsabs.harvard.edu

14^th place

9^th place

33semanticscholar.org

15^th place

8^th place

22researchgate.net

96^th place

89^th place

11molpro.net

low place

11archive.org

6^th place

11web.archive.org

1^st place

adsabs.harvard.edu (Global: 14^th place; English: 9^th place)

ui.adsabs.harvard.edu

Pulay, Peter (1969). "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules". Molecular Physics. 17 (2): 197–204. Bibcode:1969MolPh..17..197P. doi:10.1080/00268976900100941.
Pulay, Peter (1970). "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. II. Force constants of water". Molecular Physics. 18 (4): 473–480. Bibcode:1970MolPh..18..473P. doi:10.1080/00268977000100541.
Pulay, Peter (1971). "Ab initio calculation of force constants and equilibrium geometries III. Second-row hydrides". Molecular Physics. 21 (2): 329–339. Bibcode:1971MolPh..21..329P. doi:10.1080/00268977100101451.
Meyer, Wilfried (1973). "PNO-CI and CEPA studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane". Journal of Chemical Physics. 58 (3): 1017–1035. Bibcode:1973JChPh..58.1017M. doi:10.1063/1.1679283.
Werner, Hans-Joachim; Meyer, Wilfried (1981). "A quadratically convergent MCSCF method for the simultaneous optimization of several states". The Journal of Chemical Physics. 74 (10): 5794. Bibcode:1981JChPh..74.5794W. doi:10.1063/1.440892.
Werner, Hans-Joachim; Reinsch, Ernst-Albrecht (1982). "The self-consistent electron pairs method for multiconfiguration reference state functions". The Journal of Chemical Physics. 76 (6): 3144. Bibcode:1982JChPh..76.3144W. doi:10.1063/1.443357.
Knowles, P.J.; Handy, N.C. (November 1984). "A new determinant-based full configuration interaction method". Chemical Physics Letters. 111 (4–5): 315–321. Bibcode:1984CPL...111..315K. doi:10.1016/0009-2614(84)85513-X.
Werner, Hans-Joachim; Knowles, Peter J. (1985). "A second order multiconfiguration SCF procedure with optimum convergence". The Journal of Chemical Physics. 82 (11): 5053. Bibcode:1985JChPh..82.5053W. doi:10.1063/1.448627.
Knowles, Peter J.; Werner, Hans-Joachim (April 1985). "An efficient second-order MC SCF method for long configuration expansions". Chemical Physics Letters. 115 (3): 259–267. Bibcode:1985CPL...115..259K. doi:10.1016/0009-2614(85)80025-7. Archived from the original on May 15, 2015.
Werner, Hans-Joachim; Knowles, Peter J. (1988). "An efficient internally contracted multiconfiguration–reference configuration interaction method". The Journal of Chemical Physics. 89 (9): 5803. Bibcode:1988JChPh..89.5803W. doi:10.1063/1.455556.
Knowles, Peter J.; Werner, Hans-Joachim (April 1988). "An efficient method for the evaluation of coupling coefficients in configuration interaction calculations". Chemical Physics Letters. 145 (6): 514–522. Bibcode:1988CPL...145..514K. doi:10.1016/0009-2614(88)87412-8.

archive.org (Global: 6^th place; English: 6^th place)

Young, David (2001). "Appendix A. A.2.6 MOLPRO". Computational Chemistry. Wiley-Interscience. p. 338. ISBN 978-0-471-33368-5.

doi.org (Global: 2^nd place; English: 2^nd place)

Pulay, Peter (1969). "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules". Molecular Physics. 17 (2): 197–204. Bibcode:1969MolPh..17..197P. doi:10.1080/00268976900100941.
Pulay, Peter (1970). "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. II. Force constants of water". Molecular Physics. 18 (4): 473–480. Bibcode:1970MolPh..18..473P. doi:10.1080/00268977000100541.
Pulay, Peter (1971). "Ab initio calculation of force constants and equilibrium geometries III. Second-row hydrides". Molecular Physics. 21 (2): 329–339. Bibcode:1971MolPh..21..329P. doi:10.1080/00268977100101451.
Meyer, Wilfried (1973). "PNO-CI and CEPA studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane". Journal of Chemical Physics. 58 (3): 1017–1035. Bibcode:1973JChPh..58.1017M. doi:10.1063/1.1679283.
Meyer, Wilfried (1974). "PNO-CI and CEPA studies of electron correlation effects II. Potential curves and dipole moment functions of the OH radical". Theoretica Chimica Acta. 35 (4): 277–292. doi:10.1007/BF00548478. S2CID 92652572.
Werner, Hans-Joachim; Meyer, Wilfried (1981). "A quadratically convergent MCSCF method for the simultaneous optimization of several states". The Journal of Chemical Physics. 74 (10): 5794. Bibcode:1981JChPh..74.5794W. doi:10.1063/1.440892.
Werner, Hans-Joachim; Reinsch, Ernst-Albrecht (1982). "The self-consistent electron pairs method for multiconfiguration reference state functions". The Journal of Chemical Physics. 76 (6): 3144. Bibcode:1982JChPh..76.3144W. doi:10.1063/1.443357.
Knowles, P.J.; Handy, N.C. (November 1984). "A new determinant-based full configuration interaction method". Chemical Physics Letters. 111 (4–5): 315–321. Bibcode:1984CPL...111..315K. doi:10.1016/0009-2614(84)85513-X.
Werner, Hans-Joachim; Knowles, Peter J. (1985). "A second order multiconfiguration SCF procedure with optimum convergence". The Journal of Chemical Physics. 82 (11): 5053. Bibcode:1985JChPh..82.5053W. doi:10.1063/1.448627.
Knowles, Peter J.; Werner, Hans-Joachim (April 1985). "An efficient second-order MC SCF method for long configuration expansions". Chemical Physics Letters. 115 (3): 259–267. Bibcode:1985CPL...115..259K. doi:10.1016/0009-2614(85)80025-7. Archived from the original on May 15, 2015.
Werner, Hans-Joachim; Knowles, Peter J. (1988). "An efficient internally contracted multiconfiguration–reference configuration interaction method". The Journal of Chemical Physics. 89 (9): 5803. Bibcode:1988JChPh..89.5803W. doi:10.1063/1.455556.
Knowles, Peter J.; Werner, Hans-Joachim (April 1988). "An efficient method for the evaluation of coupling coefficients in configuration interaction calculations". Chemical Physics Letters. 145 (6): 514–522. Bibcode:1988CPL...145..514K. doi:10.1016/0009-2614(88)87412-8.
Knowles, Peter J.; Werner, Hans-Joachim (1992). "Internally contracted multiconfiguration-reference configuration interaction calculations for excited states". Theoretica Chimica Acta. 84 (1): 95–103. doi:10.1007/BF01117405. S2CID 96830841.
Werner, Hans-Joachim; Knowles, Peter J.; Knizia, Gerald; Manby, Frederick R.; Schutz, Martin (2011). "Molpro: a general-purposequantum chemistry programpackage". WIREs Computational Molecular Science. 2 (2): 242–253. doi:10.1002/wcms.82. S2CID 94868368.

molpro.net (Global: low place; English: low place)

"Recent changes [Molpro manual]". Retrieved 30 July 2025.

researchgate.net (Global: 96^th place; English: 89^th place)

Meyer, Wilfried (1973). "PNO-CI and CEPA studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane". Journal of Chemical Physics. 58 (3): 1017–1035. Bibcode:1973JChPh..58.1017M. doi:10.1063/1.1679283.
Werner, Hans-Joachim; Knowles, Peter J. (1985). "A second order multiconfiguration SCF procedure with optimum convergence". The Journal of Chemical Physics. 82 (11): 5053. Bibcode:1985JChPh..82.5053W. doi:10.1063/1.448627.

semanticscholar.org (Global: 15^th place; English: 8^th place)

api.semanticscholar.org

Meyer, Wilfried (1974). "PNO-CI and CEPA studies of electron correlation effects II. Potential curves and dipole moment functions of the OH radical". Theoretica Chimica Acta. 35 (4): 277–292. doi:10.1007/BF00548478. S2CID 92652572.
Knowles, Peter J.; Werner, Hans-Joachim (1992). "Internally contracted multiconfiguration-reference configuration interaction calculations for excited states". Theoretica Chimica Acta. 84 (1): 95–103. doi:10.1007/BF01117405. S2CID 96830841.
Werner, Hans-Joachim; Knowles, Peter J.; Knizia, Gerald; Manby, Frederick R.; Schutz, Martin (2011). "Molpro: a general-purposequantum chemistry programpackage". WIREs Computational Molecular Science. 2 (2): 242–253. doi:10.1002/wcms.82. S2CID 94868368.

web.archive.org (Global: 1^st place; English: 1^st place)

Knowles, Peter J.; Werner, Hans-Joachim (April 1985). "An efficient second-order MC SCF method for long configuration expansions". Chemical Physics Letters. 115 (3): 259–267. Bibcode:1985CPL...115..259K. doi:10.1016/0009-2614(85)80025-7. Archived from the original on May 15, 2015.

MOLPRO (English Wikipedia)

adsabs.harvard.edu (Global: 14th place; English: 9th place)

ui.adsabs.harvard.edu

archive.org (Global: 6th place; English: 6th place)

doi.org (Global: 2nd place; English: 2nd place)