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Nicholas C. Handy

Veröffentlichungen von Nicholas C. Handy zu Handy, Nicholas C.. ->
weitere Veröffentlichungen von Nicholas C. Handy:
Study of methane, acetylene, ethene, and benzene using Kohn-Sham theory (1993)
Convergence of projected unrestricted Hartee-Fock Moeller-Plesset series. (1988)
At a glance (1997)
Implications of unitary invariance for gradient theory (1992)
Application of the direct configuration interaction method to the ground state of O2 (1979)
The development of new exchange-correlation functionals (1998)
Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities (1998)
Analytical calculation of nuclear magnetic resonance indirect spin–spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory (2000)
A new parametrization of exchange–correlation generalized gradient approximation functionals (2001)
A dynamical correlation functional (2002)
Reaction path curvature effects in the isomerization of the methoxy radical (1985)
Density functional generalized gradient calculations using Slater basis sets (2002)
Projected unrestricted Møller–Plesset second-order energies (1988)
Møller–Plesset third order calculations with large basis sets (1988)
Unlimited full configuration interaction calculations (1989)
Veröffentlichungen zu Handy, Nicholas C..
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1
Handy, Nicholas C.. Study of methane, acetylene, ethene, and benzene using Kohn-Sham theory
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 17 (1993), p. 4392-4396
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1993
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2
Knowles, Peter J.. Convergence of projected unrestricted Hartee-Fock Moeller-Plesset series.
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 92, No. 11 (1988), p. 3097-3100
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1988
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3
Handy, Nicholas C., Palmer, Douglas At a glance
in: Nature . - London [u.a.] : Nature Publising Group, ISSN 1476-4687, Vol. 388, No. 6641 (1997), p. 438-438
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1997
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4
Jayatilaka, Dylan., Handy, Nicholas C.. Implications of unitary invariance for gradient theory
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 42 (3. 1992), p. 445-458
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1992
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5
Ferguson, Ian, Handy, Nicholas C. Application of the direct configuration interaction method to the ground state of O2
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 53 (4. 1979), p. 345-353
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1979
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6
Tozer, David J.., Handy, Nicholas C.. The development of new exchange-correlation functionals
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 108, No. 6 (1998), p. 2545-2555
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1998
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7
Tozer, David J.., Handy, Nicholas C.. Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 109, No. 23 (1998), p. 10180-10189
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1998
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8
Helgaker, Trygve., Watson, Mark., ... Analytical calculation of nuclear magnetic resonance indirect spin–spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional...
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 113, No. 21 (2000), p. 9402-9409
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2000
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9
Boese, A. Daniel., Handy, Nicholas C.. A new parametrization of exchange–correlation generalized gradient approximation functionals
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 114, No. 13 (2001), p. 5497-5503
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2001
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10
Handy, Nicholas C.., Cohen, Aron J.. A dynamical correlation functional
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 116, No. 13 (2002), p. 5411-5418
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2002
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11
Colwell, Susan M.., Handy, Nicholas C.. Reaction path curvature effects in the isomerization of the methoxy radical
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 82, No. 3 (1985), p. 1281-1290
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1985
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12
Cohen, Aron J.., Handy, Nicholas C.. Density functional generalized gradient calculations using Slater basis sets
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 117, No. 4 (2002), p. 1470-1478
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2002
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13
Knowles, Peter J.., Handy, Nicholas C.. Projected unrestricted Møller–Plesset second-order energies
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 88, No. 11 (1988), p. 6991-6998
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1988
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14
Alberts, Ian L.., Handy, Nicholas C.. Møller–Plesset third order calculations with large basis sets
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 89, No. 4 (1988), p. 2107-2115
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1988
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15
Knowles, Peter J.., Handy, Nicholas C.. Unlimited full configuration interaction calculations
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 91, No. 4 (1989), p. 2396-2398
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1989
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16
Rice, Julia E.., Handy, Nicholas C.. The calculation of frequency-dependent polarizabilities as pseudo-energy derivatives
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 94, No. 7 (1991), p. 4959-4971
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1991
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17
Murray, Christopher W.., Handy, Nicholas C.. Comparison and assessment of different forms of open shell perturbation theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 9 (1992), p. 6509-6516
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1992
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18
Bramley, Matthew J.., Handy, Nicholas C.. Efficient calculation of rovibrational eigenstates of sequentially bonded four-atom molecules
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 2 (1993), p. 1378-1397
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1993
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19
Császár, Attila G.., Handy, Nicholas C.. Exact quantum mechanical vibrational kinetic energy operator of sequentially bonded molecules in valence internal coordinates
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 102, No. 10 (1995), p. 3962-3967
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1995
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20
Rice, Julia E.., Handy, Nicholas C.. The calculation of frequency-dependent hyperpolarizabilities including electron correlation effects
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 43 (1. 1992), p. 91-118
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1992