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Rodney J. Bartlett

Veröffentlichungen von Rodney J. Bartlett zu Bartlett, Rodney J.. ->
weitere Veröffentlichungen von Rodney J. Bartlett:
Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry (1989)
Stability and energetics of metastable molecules: tetraazatetrahedrane (N4), hexaazabenzene (N6), and octaazacubane (N8) (1992)
Configuring it out (1988)
Coupled-cluster theory in atomic physics and quantum chemistry (1991)
Perspective on “On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical methods” (2000)
On the Existence of BH5 (1995)
Theoretical Determination of Charge-Transfer and Ligand Field Transition Energies for FeCl4- Using the EOM-CCSD Method (1994)
Hydrogen pentazole: does it exist? (1992)
MBPT and coupled-cluster investigation of isomerization reactions: HCN .ltbbrac. = .rtbbrac. HNC, BH3CN- .ltbbrac. = .rtbbrac. BH3NC-, and HCNBH3 .ltbbrac. = .rtbbrac. HNCBH3 (1988)
An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen (1988)
Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin (1997)
A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory (1997)
Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons (1997)
Frequency dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF? (1997)
Optimized virtual orbital space for high-level correlated calculations (1987)
Veröffentlichungen zu Bartlett, Rodney J..
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1
Bartlett, Rodney J.. Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 93, No. 5 (1989), p. 1697-1708
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1989
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2
Lauderdale, Walter J.. Stability and energetics of metastable molecules: tetraazatetrahedrane (N4), hexaazabenzene (N6), and octaazacubane (N8)
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 3 (1992), p. 1173-1178
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1992
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3
Bartlett, Rodney J. Configuring it out
in: Nature . - London [u.a.] : Nature Publising Group, ISSN 1476-4687, Vol. 334, No. 6178 (1988), p. 113-113
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1988
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4
Bartlett, Rodney J. Coupled-cluster theory in atomic physics and quantum chemistry
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 80 (2/3. 1991), p. 71-79
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1991
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5
Bartlett, Rodney J. Perspective on “On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical...
Vol. 103 (3/4. 2000), p. 273-275
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2000
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6
Watts, John D.. On the Existence of BH5
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 2 (1995), p. 825-826
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1995
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7
Oliphant, Nevin. Theoretical Determination of Charge-Transfer and Ligand Field Transition Energies for FeCl4- Using the EOM-CCSD Method
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 9 (1994), p. 4091-4092
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1994
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8
Ferris, Kim F.. Hydrogen pentazole: does it exist?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 21 (1992), p. 8302-8303
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1992
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9
Urban, Miroslav. MBPT and coupled-cluster investigation of isomerization reactions: HCN .ltbbrac. = .rtbbrac. HNC, BH3CN- .ltbbrac. = .rtbbrac. BH3NC-, and HCNBH3 .ltbbrac. = .rtbbrac. HNCBH3
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 110, No. 15 (1988), p. 4926-4931
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1988
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10
Rittby, Magnus. An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 92, No. 11 (1988), p. 3033-3036
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1988
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11
Nooijen, Marcel., Bartlett, Rodney J.. Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 106, No. 15 (1997), p. 6449-6455
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1997
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12
Nooijen, Marcel., Bartlett, Rodney J.. A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 106, No. 15 (1997), p. 6441-6448
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1997
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13
Nooijen, Marcel., Bartlett, Rodney J.. Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 107, No. 17 (1997), p. 6812-6830
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1997
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14
Rozyczko, Piotr., Bartlett, Rodney J.. Frequency dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 107, No. 24 (1997), p. 10823-10826
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1997
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15
Adamowicz, Ludwik., Bartlett, Rodney J.. Optimized virtual orbital space for high-level correlated calculations
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 86, No. 11 (1987), p. 6314-6324
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1987
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16
Adamowicz, Ludwik., Bartlett, Rodney J.. Erratum: Numerical coupled Hartree–Fock study of the total (electronic and nuclear) parallel polarizability and hyperpolarizability for the FH, H+2, HD+, and D2 molecules [J....
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 86, No. 12 (1987), p. 7250-7250
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1987
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17
Noga, Jozef., Bartlett, Rodney J.. The full CCSDT model for molecular electronic structure
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 86, No. 12 (1987), p. 7041-7050
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1987
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18
Hirata, So., Bartlett, Rodney J.. Many-body Green's-function calculations on the electronic excited states of extended systems
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 112, No. 17 (2000), p. 7339-7344
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2000
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19
Ivanov, Stanislav., Bartlett, Rodney J.. An exact second-order expression for the density functional theory correlation potential for molecules
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 114, No. 5 (2001), p. 1952-1955
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2001
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20
Meissner, Leszek., Bartlett, Rodney J.. A new approach to the problem of noniterative corrections within the coupled-cluster framework
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 115, No. 1 (2001), p. 50-61
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2001