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Particle-number projected Bogoliubov-coupled-cluster theory: Application to the pairing Hamiltonian

Physical review. C, 2019-04, Vol.99 (4), Article 044301

2019

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Tensor-decomposition techniques for ab initio nuclear structure calculations: From chiral nuclear potentials to ground-state energies

Physical review. C, 2019-03, Vol.99 (3), Article 034320

2019

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Linear scaling electronic structure methods in chemistry and physics

Computing in science & engineering, 2003-07, Vol.5 (4), p.14-21

2003

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Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2177-2185

2011

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Computational chemistry

Computing in science & engineering, 2003-07, Vol.5 (4), p.12-13

2003

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Insight into the mechanism of sidewall functionalization of single-walled nanotubes: an STM study

Chemical physics letters, 1999-11, Vol.313 (3), p.445-450

1999

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Uranium stabilization of C28 : a tetravalent fullerene

Science (American Association for the Advancement of Science), 1992-09, Vol.257 (5077), p.1661-1664

1992

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A comparison of hybrid density functional theory with photoemission of surface oxides of δ-plutonium

Surface science, 2006-04, Vol.600 (8), p.1637-1640

2006

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Isomers of C 20. Dramatic effect of gradient corrections in density functional theory

Chemical physics letters, 1993-11, Vol.214 (3), p.357-361

1993

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Isomers of C20. Dramatic effect of gradient corrections in density functional theory

Chemical physics letters, 1993-11, Vol.214 (3-4), p.357-361

1993

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C240 — The most chemically inert fullerene?

Chemical physics letters, 1997-06, Vol.272 (1-2), p.38-42

1997

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C 240 — The most chemically inert fullerene?

Chemical physics letters, 1997-06, Vol.272 (1), p.38-42

1997

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The electronic structure of Ca@C60

Chemical physics letters, 1993-05, Vol.207 (4-6), p.354-359

1993

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A systematic theoretical study of harmonic vibrational frequencies: The single and double excitation coupled cluster (CCSD) method

The Journal of chemical physics, 1988-07, Vol.89 (1), p.360-366

1988

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A Cycloaddition Model for Fullerene Formation

Journal of physical chemistry (1952), 1996-04, Vol.100 (16), p.6492-6498

1996

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The unimolecular triple dissociation of glyoxal: transition-state structures optimized by configuration interaction and coupled cluster methods

Journal of the American Chemical Society, 1989-09, Vol.111 (20), p.7761-7765

1989

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Theoretical Evidence for a C$_{60}$ "Window" Mechanism

Science (American Association for the Advancement of Science), 1994-02, Vol.263 (5148), p.791-793

1994

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Isomers of C[sub 60]H[sub 36] and C[sub 70]H[sub 36]

Journal of physical chemistry (1952), 1994-04, Vol.98:16

1994

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Theoretical study of C[sub 90] and C[sub 96] fullerene isomers

Journal of physical chemistry (1952), 1994-04, Vol.98:16

1994

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Halocarbenes CHF, CHCl, and CHBr: geometries, singlet-triplet separations, and vibrational frequencies

Journal of the American Chemical Society, 1986-06, Vol.108 (12), p.3248-3253

1986

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Isomers of C60H36 and C70H36

Journal of physical chemistry (1952), 1994-04, Vol.98 (16), p.4283-4286

1994

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Ab Initio theoretical study of the HC sub 2 + CO reaction and the HC sub 2 CO radical

Journal of physical chemistry (1952), 1991-09, Vol.95:18

1991

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The dipole polarizability of Li

Chemical physics letters, 1988-06, Vol.147 (5), p.435-442

1988

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Methylnitrene; theoretical predictions of its molecular structure and comparison with the conventional C-N single bond in methylamine

Journal of the American Chemical Society, 1989-07, Vol.111 (14), p.5181-5185

1989

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Mechanism of the photodissociation of s-tetrazine: a unimolecular triple dissociation

Journal of the American Chemical Society, 1986-12, Vol.108 (26), p.8160-8162

1986

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Particle-number projected Bogoliubov-coupled-cluster theory: Application to the pairing Hamiltonian

Tensor-decomposition techniques for ab initio nuclear structure calculations: From chiral nuclear potentials to ground-state energies

Linear scaling electronic structure methods in chemistry and physics

Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice

Computational chemistry

Insight into the mechanism of sidewall functionalization of single-walled nanotubes: an STM study

Uranium stabilization of C28 : a tetravalent fullerene

A comparison of hybrid density functional theory with photoemission of surface oxides of δ-plutonium

Isomers of C 20. Dramatic effect of gradient corrections in density functional theory

Isomers of C20. Dramatic effect of gradient corrections in density functional theory

C240 — The most chemically inert fullerene?

C 240 — The most chemically inert fullerene?

The electronic structure of Ca@C60

A systematic theoretical study of harmonic vibrational frequencies: The single and double excitation coupled cluster (CCSD) method

A Cycloaddition Model for Fullerene Formation

The unimolecular triple dissociation of glyoxal: transition-state structures optimized by configuration interaction and coupled cluster methods

Theoretical Evidence for a C$_{60}$ "Window" Mechanism

Isomers of C[sub 60]H[sub 36] and C[sub 70]H[sub 36]

Theoretical study of C[sub 90] and C[sub 96] fullerene isomers

Halocarbenes CHF, CHCl, and CHBr: geometries, singlet-triplet separations, and vibrational frequencies

Isomers of C60H36 and C70H36

Ab Initio theoretical study of the HC sub 2 + CO reaction and the HC sub 2 CO radical

The dipole polarizability of Li

Methylnitrene; theoretical predictions of its molecular structure and comparison with the conventional C-N single bond in methylamine

Mechanism of the photodissociation of s-tetrazine: a unimolecular triple dissociation

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