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Basis-set convergence of the energy in molecular Hartree–Fock calculations

Chemical physics letters, 1999-03, Vol.302 (5), p.437-446

1999

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Basis set convergence of the interaction energy of hydrogen-bonded complexes

The Journal of chemical physics, 1999-11, Vol.111 (20), p.9157-9167

1999

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Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties

The Journal of chemical physics, 1998-02, Vol.108 (7), p.2801-2816

1998

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Basis-set convergence of the molecular electric dipole moment

The Journal of chemical physics, 1999-09, Vol.111 (10), p.4424-4430

1999

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Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene

The Journal of chemical physics, 1996-10, Vol.105 (16), p.6921-6939

1996

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A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models

Theoretical chemistry accounts, 1997-10, Vol.97 (1-4), p.150-157

1997

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On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2

Chemical physics letters, 2000-08, Vol.326 (3-4), p.269-276

2000

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On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO 2 and CS 2

Chemical physics letters, 2000-08, Vol.326 (3), p.269-276

2000

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A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients

The Journal of chemical physics, 2003-02, Vol.118 (7), p.2985-2998

2003

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Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations

The Journal of chemical physics, 2003-02, Vol.118 (6), p.2539-2549

2003

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Towards a theory of dissociative recombination

Pramāṇa, 1998-06, Vol.50 (6), p.547-554

1998

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First-order one-electron properties in the integral-direct coupled cluster singles and doubles model

The Journal of chemical physics, 1997-07, Vol.107 (3), p.849-866

1997

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Basis-set convergence in correlated calculations on Ne, N2, and H2O

Chemical physics letters, 1998-04, Vol.286 (3-4), p.243-252

1998

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On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS

The Journal of chemical physics, 2003-04, Vol.118 (16), p.7329-7339

2003

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Full configuration interaction benchmark calculations of first-order one-electron properties of BH and HF

The Journal of chemical physics, 1999-01, Vol.110 (2), p.734-740

1999

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The molecular electric quadrupole moment of N 2

Chemical physics letters, 1998-09, Vol.294 (4), p.292-296

1998

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CCSDT calculations of molecular equilibrium geometries

Chemical physics letters, 1997-08, Vol.274 (1), p.235-241

1997

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On the molecular electric quadrupole moment of C2H2

Chemical physics letters, 1999-04, Vol.303 (3-4), p.408-412

1999

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State-of-the-art ab initio calculations of the molecular electric quadrupole moments of hydrogen fluoride

Chemical physics letters, 2001-10, Vol.346 (3), p.329-333

2001

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Ab initio study of the electric-field-gradient-induced birefringence of a polar molecule: CO

The Journal of chemical physics, 2000-08, Vol.113 (8), p.3077-3087

2000

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Basis-set convergence of the two-electron Darwin term

Chemical physics letters, 2000-03, Vol.319 (3), p.287-295

2000

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On the molecular electric quadrupole moment of C 2H 2

Chemical physics letters, 1999, Vol.303 (3), p.408-412

1999

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On the divergent behavior of Møller–Plesset perturbation theory for the molecular electric dipole moment

The Journal of chemical physics, 2000-01, Vol.112 (3), p.1107-1112

2000

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Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties

The Journal of chemical physics, 2002-12, Vol.117 (22), p.9983-9990

2002

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Publisher’s Note: “A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients” [J. Chem. Phys. 118 , 2985 (2003)]

The Journal of chemical physics, 2003-06, Vol.118 (24), p.11335-11335

2003

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Basis-set convergence of the energy in molecular Hartree–Fock calculations

Basis set convergence of the interaction energy of hydrogen-bonded complexes

Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties

Basis-set convergence of the molecular electric dipole moment

Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene

A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models

On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2

On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO 2 and CS 2

A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients

Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations

Towards a theory of dissociative recombination

First-order one-electron properties in the integral-direct coupled cluster singles and doubles model

Basis-set convergence in correlated calculations on Ne, N2, and H2O

On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS

Full configuration interaction benchmark calculations of first-order one-electron properties of BH and HF

The molecular electric quadrupole moment of N 2

CCSDT calculations of molecular equilibrium geometries

On the molecular electric quadrupole moment of C2H2

State-of-the-art ab initio calculations of the molecular electric quadrupole moments of hydrogen fluoride

Ab initio study of the electric-field-gradient-induced birefringence of a polar molecule: CO

Basis-set convergence of the two-electron Darwin term

On the molecular electric quadrupole moment of C 2H 2

On the divergent behavior of Møller–Plesset perturbation theory for the molecular electric dipole moment

Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties

Publisher’s Note: “A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients” [J. Chem. Phys. 118 , 2985 (2003)]

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