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1

Coupled-cluster theory in quantum chemistry

Bartlett, Rodney, Musiał, Monika

Journal:

Review of Modern Physics

Year:

2007

Language:

english

File:

PDF, 2.10 MB

english, 2007

2

Calculation of Gaussian integrals using symbolic manipulation

Paul Bracken, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 191 KB

english, 1997

3

Multi-reference averaged quadratic coupled-cluster method: a size-extensive modification of multi-reference CI

Péter G. Szalay, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 662 KB

english, 1993

4

New perspectives on unitary coupled-cluster theory

Andrew G. Taube, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 189 KB

english, 2006

5

Molecular hyperpolarizabilities. I. Theoretical calculations including correlation

Bartlett, Rodney, Purvis, George

Journal:

Physical Review A

Year:

1979

Language:

english

File:

PDF, 611 KB

english, 1979

6

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

Purvis, George D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1982

Language:

english

File:

PDF, 957 KB

english, 1982

7

Unifying Gravity with Electromagnetism, the Atomic Nuclear Forces, and the Higgs Eliminates the Universe's Big Bang

Bartlett, Rodney

Journal:

SSRN Electronic Journal

Year:

2019

Language:

english

File:

PDF, 384 KB

english, 2019

8

ChemInform Abstract: CVD Growth of Boron Nitride Nanotubes.

Oleg R. Lourie, Carolyn R. Jones, Bart M. Bartlett, Patrick C. Gibbons, Rodney S. Ruoff, William E. Buhro

Journal:

Year:

2000

File:

PDF, 33 KB

2000

9

Towards a full CCSDT model for electron correlation. CCSDT-n models

Jozef Noga, Rodney J. Bartlett, Miroslav Urban

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 555 KB

english, 1987

10

The nature of monocyclic C10. A theoretical investigation using coupled-cluster methods

John D. Watts, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 585 KB

english, 1992

11

Alternative coupled-cluster ansätze II. The unitary coupled-cluster method

Rodney J. Bartlett, Stanislaw A. Kucharski, Jozef Noga

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 553 KB

english, 1989

12

Valence and excited dipole-bound states of polar diatomic anions: LiH−, LiF−, LiCl−, NaH−, NaF−, NaCl−, BeO−, and MgO−

Gennady L. Gutsev, Marcel Nooijen, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 573 KB

english, 1997

13

Localized orbitals in the coupled cluster singles and doubles model

William D. Laidig, George D. Purvis III, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 612 KB

english, 1982

14

A many-body perturbation theory and coupled cluster study of the water dimer

Robert J. Harrison, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 385 KB

english, 1986

15

Localized Hartree product orbitals in correlated studies of molecules

S. Ajith Perera, David E. Bernholdt, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 759 KB

english, 1994

16

Performance of single-reference coupled-cluster methods for quasidegenerate problems: The H4model

S. A. Kucharski, A. Balková, Rodney J. Bartlett

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1991

Language:

english

File:

PDF, 885 KB

english, 1991

17

A coupled-cluster study of the photoelectron spectra of C−4

John D. Watts, Ivan Cernusak, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 542 KB

english, 1991

18

Geometry and harmonic frequency of N2 with coupled cluster methods that include connected quadruple excitations

Stanisław A. Kucharski, John D. Watts, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 80 KB

english, 1999

19

Increasing the applicability of density functional theory. III. Do consistent Kohn-Sham density functional methods exist?

Verma, Prakash, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 815 KB

english, 2012

20

Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential

Grabowski, Ireneusz, Teale, Andrew M., Śmiga, Szymon, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 851 KB

english, 2011

21

Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients

Watts, John D., Gauss, Jürgen, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.45 MB

english, 1993

22

The equation-of-motion coupled cluster method for triple electron attached states

Musiał, Monika, Olszówka, Marta, Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 732 KB

english, 2012

23

Equation of motion coupled cluster method for electron attachment

Nooijen, Marcel, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 604 KB

english, 1995

24

Towards a full CCSDT model for electron correlation

Urban, Miroslav, Noga, Jozef, Cole, Samuel J., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 698 KB

english, 1985

25

A coupled-cluster study of the ground state of C+3

Watts, John D., Stanton, John F., Gauss, Jürgen, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 924 KB

english, 1991

26

A theoretical study of linear carbon cluster monoanions, C−n, and dianions, C2−n (n=2–10)

Watts, John D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.22 MB

english, 1992

27

The description of N2 and F2 potential energy surfaces using multireference coupled cluster theory

Laidig, William D., Saxe, Paul, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.68 MB

english, 1987

28

Algebraic connectivity analysis in molecular electronic structure theory II: total exponential formulation of second-quantised correlated methods

Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 1.18 MB

english, 2014

29

interfaces: Stress and strain on the atomic scale

Korkin, Anatoli, Greer, J. C., Bersuker, Gennadi, Karasiev, Valentin V., Bartlett, Rodney J.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 457 KB

english, 2006

30

The coupled-cluster revolution

Bartlett, Rodney J.

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 609 KB

english, 2010

31

Towards Numerical Solutions of the Schrödinger Equation for Diatomic Molecules

Adamowicz, Ludwik, Bartlett, Rodney J., McCullough, Edward A.

Journal:

Physical Review Letters

Year:

1985

Language:

english

File:

PDF, 156 KB

english, 1985

32

Accuracy of Computed 15 N Nuclear Magnetic Resonance Chemical Shifts

Gregušová, Adriana, Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 283 KB

english, 2010

33

Coupled-cluster calculations on the C2 molecule and the C+2 and C−2 molecular ions

Watts, John D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.21 MB

english, 1992

34

The full CCSDT model for molecular electronic structure

Noga, Jozef, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 980 KB

english, 1987

35

Accurate electron affinities of small carbon clusters

Watts, John D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 843 KB

english, 1994

36

Linear and cyclic isomers of C4. A theoretical study with coupled-cluster methods and large basis sets

Watts, John D., Gauss, Jürgen, Stanton, John F., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.08 MB

english, 1992

37

Exact Exchange Treatment for Molecules in Finite-Basis-Set Kohn-Sham Theory

Ivanov, Stanislav, Hirata, So, Bartlett, Rodney J.

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 72 KB

english, 1999

38

Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials

Verma, Prakash, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 492 KB

english, 2014

39

Many-body perturbation theory applied to electron pair correlation energies. II. Closed-shell second-row diatomic hydrides

Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1976

Language:

english

File:

PDF, 898 KB

english, 1976

40

Structure, energetics, and vibrational spectra of beryllium borohydride isomers

Stanton, John F., Lipscomb, William N., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 927 KB

english, 1988

41

Many-body perturbation theory applied to electron pair correlation energies. I. Closed-shell first-row diatomic hydrides

Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1975

Language:

english

File:

PDF, 1.07 MB

english, 1975

42

The analytical energy gradient scheme in the Gaussian based Hartree–Fock and density functional theory for two-dimensional systems using the fast multipole method

Tobita, Motoi, Hirata, So, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 867 KB

english, 2003

43

A theoretical study of the water dimer interaction

Szalewicz, Krzysztof, Cole, Samuel J., Kol̸os, Wl̸odzimierz, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 1.43 MB

english, 1988

44

A remark on the disconnected nature of Lagrange equations in the context of a linear-scaling implementation of the coupled-cluster energy gradients

Lyakh, Dmitry I., Bartlett, Rodney J.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 139 KB

english, 2012

45

Coupled cluster geometries and energies of C20 carbon cluster isomers – A new benchmark study

Jin, Yifan, Perera, Ajith, Lotrich, Victor F., Bartlett, Rodney J.

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 392 KB

english, 2015

46

Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond

Verma, Prakash, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 631 KB

english, 2012

47

Erratum: Many-body perturbation theory applied to electron pair correlation energies. I. Closed-shell first-row diatomic hydrides

Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1976

Language:

english

File:

PDF, 385 KB

english, 1976

48

Low-lying isomers of the chlorine oxide dimer: a theoretical study

Stanton, John F., Rittby, C. Magnus L., Bartlett, Rodney J., Toohey, Darin W.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 581 KB

english, 1991

49

The QTP family of consistent functionals and potentials in Kohn-Sham density functional theory

Jin, Yifan, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.70 MB

english, 2016

50

Coupled-cluster based basis sets for valence correlation calculations

Claudino, Daniel, Gargano, Ricardo, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 560 KB

english, 2016