Single determinant calculations of excited state polarizabilities

[1]  Patrick Norman,et al.  Excited state properties through cubic response theory: polarizabilities of benzene and naphthalene , 1997 .

[2]  H. Ågren,et al.  The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models , 1997 .

[3]  Yi Luo,et al.  Ground and excited state hyperpolarizabilities of cis trans and diphenyl polyenes , 1996 .

[4]  Patrick Norman,et al.  CUBIC RESPONSE FUNCTIONS IN THE MULTICONFIGURATION SELF-CONSISTENT FIELD APPROXIMATION , 1996 .

[5]  Yi Luo,et al.  Response theory for static and dynamic polarizabilities of excited states , 1996 .

[6]  Trygve Helgaker,et al.  Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes , 1996 .

[7]  Patrick Norman,et al.  Non-linear electric and magnetic properties obtained from cubic response functions in the random phase approximation , 1996 .

[8]  Hans Peter Lüthi,et al.  THE MOLECULAR AND ELECTRONIC STRUCTURE OF S-TETRAZINE IN THE GROUND AND FIRST EXCITED STATE : A THEORETICAL INVESTIGATION , 1995 .

[9]  John F. Stanton,et al.  A comparison of single reference methods for characterizing stationary points of excited state potential energy surfaces , 1995 .

[10]  Heflin,et al.  Excited-state enhancement of third-order nonlinear optical responses in conjugated organic chains. , 1995, Physical review. A, Atomic, molecular, and optical physics.

[11]  A. Hese,et al.  Stark effect and fluorescence quenching in the S1 ← S0 000 rovibronic spectrum of pyrazine , 1995 .

[12]  Rodney J. Bartlett,et al.  A multireference coupled‐cluster study of the ground state and lowest excited states of cyclobutadiene , 1994 .

[13]  J. V. Ortiz.  One‐electron density matrices and energy gradients in the random phase approximation , 1994 .

[14]  G. Maroulis.  Accurate electric dipole and quadrupole moment, dipole polarizability, and first and second dipole hyperpolarizability of ozone from coupled cluster calculations , 1994 .

[15]  A. Thakkar,et al.  Polarizabilities of aromatic six-membered rings: azines and 'inorganic benzenes' , 1994 .

[16]  Yi Luo,et al.  Frequency‐dependent polarizabilities and first hyperpolarizabilities of H2O , 1993 .

[17]  Roland Lindh,et al.  Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene , 1993 .

[18]  D. C. Rodenberger,et al.  Excited-state enhancement of optical nonlinearities in linear conjugated molecules , 1992, Nature.

[19]  K. Andersson,et al.  Electric properties of the ozone molecule , 1992 .

[20]  B. Rosenow,et al.  Measurement of static polarizabilities on C10H8 and C10D8 , 1992 .

[21]  A. Hese,et al.  Measurement of static polarizabilities on s‐tetrazine , 1991 .

[22]  H. Ågren,et al.  MCSCF/MCLR Studies of potential energy surfaces, spectra, and properties of the X1A1 and a3B2 states of ozone , 1991 .

[23]  A. Hese,et al.  On the polarizabilities of centrosymmetric molecules: naphthalene as an example , 1991 .

[24]  Keith Yates,et al.  Excited state dipole moments and polarizabilities of some aromatic alkenes and alkynes , 1990 .

[25]  Yit‐Tsong Chen,et al.  Stark and Zeeman effects in ethylene observed by sub‐Doppler infrared spectroscopy , 1988 .

[26]  J. Olsen,et al.  Linear and nonlinear response functions for an exact state and for an MCSCF state , 1985 .

[27]  Raúl G. E. Morales,et al.  Polarizability change in the excited electronic states of nonpolar aromatic hydrocarbons , 1982 .

[28]  N. Hush,et al.  Finite field method calculations. VI. Raman scatering activities, infrared absorption intensities and higher-order moments: SCF and CI calculations for the isotopic derivatives of H2O and SCF calculations for CH4 , 1980 .

[29]  B. R. Russell,et al.  Electric dipole moment and polarizability of the 1749 Å, 1B2 excited state of formaldehyde , 1978 .

[30]  J. Muenter,et al.  Stark and Zeeman properties of ozone from molecular beam spectroscopy , 1977 .

[31]  Hans-Joachim Werner,et al.  PNO-CI and PNO-CEPA studies of electron correlation effects , 1976 .

[32]  A. J. Merer,et al.  Ultraviolet spectra and excited states of ethylene and its alkyl derivatives , 1969 .

[33]  Michael J. Frisch,et al.  Toward a systematic molecular orbital theory for excited states , 1992 .

[34]  Paul Suppan,et al.  Permanent and induced dipole moments in electronically excited aromatic molecules. The polarizability in excited states , 1990 .

[35]  L. Salem.  Electrons in chemical reactions: First principles , 1982 .

[36]  Melvin B. Robin,et al.  Higher excited states of polyatomic molecules , 1974 .

[37]  C. P. Smyth,et al.  The Structural Effects of Unsaturation and Hyperconjugation in Aldehydes, Nitriles and Chlorides as Shown by their Dipole Moments in the Vapor State , 1943 .